Next Generation Integrative Information Technologies High Throughput Generation and Analysis of Petascale Featuresets
Joel Saltz (Emory University)
Field of Science: Cross-Disciplinary Activities
High-resolution computational modeling and design of membrane proteins
Patrick Barth (Baylor College of Medicine)
Field of Science: Molecular Biosciences
Campus Champion University of Notre Dame
Paul Brenner (University of Notre Dame)
Field of Science: Computer and Computation Research
Campus Champion for University of Chicago
Daniel Katz (University of Chicago)
Field of Science: Training
Campus Champions for OSU
Dana Brunson (Oklahoma State University)
Field of Science: Computer and Computation Research
Developing General Strategies for GPUbased Acceleration of Irregular Programs
Martin Burtscher (Texas State University)
Field of Science: Computer and Computation Research
Modeling Conjugated Polymers
Kateri DuBay (Columbia University in the City of New York)
Field of Science: Chemistry
Bio-physical Modeling development for the fishery recruitment
Meng Xia (University of Maryland, Eastern Shore)
Field of Science: Ocean Sciences
Enumerating protein and RNA 3D structures with atomic accuracy
Rhiju Das (Stanford University)
Field of Science: Molecular Biosciences
Instability, Turbulence, and Transport in Protoplanetary Disks
Jeffrey Oishi (Stanford Linear Accelerator Center)
Field of Science: Astronomical Sciences
Next Generation Integrative Information Technologies Petascale Featuresets and Semantically Enabled Machine Learning
Joel Saltz (Emory University)
Field of Science: Advanced Scientific Computing
Galaxy Evolution and Black Hole Feedback
Amit Kashi (University of Nevada-Las Vegas)
Field of Science: Astronomical Sciences
Assessment and Application of Atomistic Monte Carlo: Benchmarking with MD
Roger Stoller (Oak Ridge National Laboratory)
Field of Science: Materials Research
Petascale computations in mineral physics with the Quantum ESPRESSO
Renata Wentzcovitch (University of Minnesota)
Field of Science: Materials Research
NOAA
Christopher Kerr (Geophysical Fluid Dynamics Laboratory)
Field of Science: Ocean Sciences
Numerical Investigation of Circularly Polarized Light Transmission by a Chiral Array of Silver Nanospheres
Shengli Zou (University of Central Florida)
Field of Science: Chemistry
Campus Champion for Columbia University
Rob Lane (Columbia University in the City of New York)
Field of Science: Training
Campus Champion for University of Chicago
Nicholas Labello (University of Chicago)
Field of Science: Training
Campus Champion for Harvey Mudd College
Jeho Park (Harvey Mudd College)
Field of Science: Training
Multiscale simulation of biominerals
Youping Chen (University of Florida)
Field of Science: Materials Research
Black Holes as Moving Punctures
John Brown (North Carolina State University at Raleigh)
Field of Science: Physics
Investigate climate change impacts over California using WRF dynamical downscaling simulations
Zhan Zhao (California Air Resource Board)
Field of Science: Atmospheric Sciences
PetaApps: New Coupling Strategies and Capabilities for Petascale Climate Modeling
Richard Loft (National Center for Atmospheric Research)
Field of Science: Atmospheric Sciences
Campus Champions Program for the University of Virginia
Katherine Holcomb (University of Virginia)
Field of Science: Cross-Disciplinary Activities
Circumstellar Astrophysics: Disks, Winds, Shells, and Shocks
John M. Blondin (North Carolina State University at Raleigh)
Field of Science: Astronomical Sciences
3-D and 4-D geodynamic models of subduction zones
Dave Stegman (University of California-San Diego)
Field of Science: Earth Sciences
Impact of Extreme Climatic Events on Water Quality and Sustainability of Truckee Carson (CA-NV) Watershed
Goloka Sahoo (University of California-Davis)
Field of Science: Atmospheric Sciences
Large-eddy simulation of shock/boundary layer interaction and shockbifurcation
Matthias Ihme (University of Michigan)
Field of Science: Chemical, Thermal Systems
Computational simulations of DNA repair enzymes
Gerardo Cisneros (Wayne State University)
Field of Science: Chemistry
Multi-scale modeling of the electrochemical reduction of CO2 to alcohols
Aravind Asthagiri (Ohio State University)
Field of Science: Chemistry
Scalable Performance Tools for Blue Waters.
Robert J. Fowler (University of North Carolina, Chapel Hill)
Field of Science: Advanced Scientific Computing
Numerical investigation of the noise radiated by supersonic jets
Simon Mendez (Stanford University)
Field of Science: Chemical, Thermal Systems
Particles in bidisperse and wall-bounded shear flow suspensions
Martin Maxey (Brown University)
Field of Science: Chemical, Thermal Systems
Parallel Algorithms for Particulate Flows
George Biros (University of Texas at Austin)
Field of Science: Advanced Scientific Computing
Computational studies of antimicrobial peptides and their interactions with bacterial membranes
Yongle Li (University of New Mexico)
Field of Science: Chemistry
Determination of solution structures by NMR and dependence on pH and salt of biomolecular interactions
David Case (The Scripps Research Institute)
Field of Science: Molecular Biosciences
Benchmarking a new parallel finite element code for modeling crustal deformation due to earthquakes and volcanoes
Syed Ali (University of Wisconsin-Madison)
Field of Science: Earth Sciences
Scaling of the Bone Morphogenetic Protein Gradient in the Drosophila Wing Imaginal Disc
Abed Alnaif (University of California-Irvine)
Field of Science: Integrative Biology and Neuroscience
Numerical Experiments of Physics and Dynamics of Multiscale Turbulent Clouds
Lian-Ping Wang (University of Delaware)
Field of Science: Atmospheric Sciences
Performance Evaluation of NSF SDCI Applications using POINT
Sameer Shende (University of Oregon)
Field of Science: Advanced Scientific Computing
Benchmarking OpenFOAM for sediment transport simulations
Thomas A. Hauser (Northwestern University)
Field of Science: Advanced Scientific Computing
OSG->TG Gateway
Neha Sharma (Fermi National Accelerator Laboratory)
Field of Science: Advanced Scientific Computing
DNS of particle-laden turbulent flows
Antonino Ferrante (University of Washington)
Field of Science: Chemical, Thermal Systems
Computational Study of Astrophysical Plasmas in the Regime of Relativistic Jets
Ken-Ichi Nishikawa (University of Alabama, Huntsville)
Field of Science: Astronomical Sciences
Accelerated software development for large scale nuclear structure calculations
Bhupender Thakur (Louisiana State Univrsity)
Field of Science: Physics
Porting and scalability evaluation of the Scalasca toolset
Mahin Mahmoodi (Pittsburgh Supercomputing Center)
Field of Science: Advanced Scientific Computing
A case study of using TeraGrid for large-scale medical image analysis
Andriy Fedorov (Brigham and Womens Hospital)
Field of Science: Advanced Scientific Computing
Campus Champion for the University of Virginia
Thomas Hall (University of Virginia)
Field of Science: Advanced Scientific Computing
Campus Champions program for Marquette University
Xizhou Feng (Marquette University)
Field of Science: Advanced Scientific Computing
Full-3D Seismic Waveform Tomography for Crustal and Upper-Mantle Earth Structures in California, US and the Eastern Eurasia
Po Chen (University of Wyoming)
Field of Science: Earth Sciences
SPECIES DISTRIBUTION MODELING FOR TARDIGRADES OF THE GREAT SMOKY MOUNTAINS NATIONAL PARK
Paul Bartels (Warren Wilson College)
Field of Science: Environmental Biology
Campus Champion for Marshall University
Jack Smith (Marshall University)
Field of Science: Advanced Scientific Computing
Large-scale evolutionary simulations of complex microbial behaviors in dynamic environments. Scalability tests in preparation for the Research Project Application.
Ilias Tagkopoulos (University of California-Davis)
Field of Science: Advanced Scientific Computing
Multiscale modeling of membrane penetration by nanoscale drug carriers
Reid Van Lehn (Massachusetts Institute of Technology)
Field of Science: Materials Research
Development and Porting of Image Algorithms to HPC
Rob Kooper (University of Illinois at Urbana-Champaign)
Field of Science: Computer and Computation Research
Simulations of Magnetized Relativistic Accretion Disks and Jets
Ramesh Narayan (Harvard University)
Field of Science: Astronomical Sciences
TeraGrid Campus Champion allocation for University of Washington
Jeffrey Gardner (University of Washington)
Field of Science: Training
Covariant density functional studies for nuclear structure and nuclear astrophysics
Anatoli Afanasjev (University of Tennessee, Knoxville)
Field of Science: Physics
First Principles Computational Design of Silicon Clathrate Anodes for Li-Ion Batteries
Kwai Chan (Southwest Research Institute)
Field of Science: Materials Research
Science Gateway for Systems Biology Workbench Portal
Bhanu Rekepalli (Oak Ridge National Laboratory)
Field of Science: Molecular Biosciences
Campus Champion for Idaho State University
Ben Nickell (Idaho State University)
Field of Science: Training
Science Gateway for Arroyo AO code
Roy Williams (California Institute of Technology)
Field of Science: Astronomical Sciences
NUCCOR
Gaute Hagen (ORNL)
Field of Science: Physics
Numerical Simulations of Core-Collapse Supernova
Konstantin Yakunin (Florida Atlantic University)
Field of Science: Astronomical Sciences
Molecular Modeling of Nanoscale Structure and Dynamics of Geologically and Environmentally Important Aqueous Solutions and Substrate-Solution Interfaces
Christin Morrow (Michigan State University)
Field of Science: Earth Sciences
Streamline dental image processing to increase productivity
Huian Li (Indiana University-Purdue University, Indianapolis)
Field of Science: Advanced Scientific Computing
Localizing Bugs that Manifest at Large System Scales
Saurabh Bagchi (Purdue University)
Field of Science: Computer and Computation Research
Simulation of binding between tRNA and peptides to discover inhibitors of HIV replication
Carol Hall (North Carolina State University at Raleigh)
Field of Science: Chemistry
Numerical Simulation of Hydrodynamic Instabilities with Application to High Energy Density Physics
Eric Johnsen (University of Michigan)
Field of Science: Chemical, Thermal Systems
Folding studies on the TDP-43 Protein
John Beale (Saint Louis College of Pharmacy)
Field of Science: Molecular Biosciences
Radiation Transport Calculations for Facility for Rare Isotope Beams
Mikhail Kostin (Michigan State University)
Field of Science: Physics
GPUDG
Timothy Warburton (Rice University)
Field of Science: Advanced Scientific Computing
SpaceTime Neutron Kinetics within a MultiPhysics Framework for Nuclear Fuel Performance Applications
James Banfield (University of Tennessee / Oak Ridge National Laboratory)
Field of Science: Physics
Merging Double White Dwarf Binary Stars as progenitor for R Corona Borealis Stars
Jan Staff (Louisiana State University)
Field of Science: Astronomical Sciences
3D Simulations of Common Envelope Phases
Jason Nordhaus (Rochester Institute of Technology)
Field of Science: Astronomical Sciences
Automatic Classification of Computing Educational Resources into the ACM Computing Classification System.
Paul Bogen (Oak Ridge National Laboratory)
Field of Science: Computer and Computation Research
First-Principles Calculations of the Role of PVP in the Controlled Synthesis of Colloidal Ag Nanostructures
Kristen Fichthorn (Pennsylvania State University)
Field of Science: Materials Research
Structure of Magnetized Accretion Disks
Kristian Beckwith (University of Colorado)
Field of Science: Astronomical Sciences
Typologies of Immigrant Absorbing Destinations
Stephanie Bohon (Center for the Study of Social Justice)
Field of Science: Social and Economic Science
Towards petascale simulations of cloud turbulence.
Andrzej Wyszogrodzki (University Corporation for Atmospheric Research)
Field of Science: Atmospheric Sciences
High-Resolution Fully Kinetic Particle-in-Cell Modeling of Plasma Thrusters
Manuel Martinez-Sanchez (Massachusetts Institute of Technology)
Field of Science: Advanced Scientific Computing
Evaluation of Groundwater Flow Paths, Fluxes, and Stores in the Chesapeake Bay Watershed Using Distributed Flow and Transport Models
Claire Welty (University of Maryland, Baltimore County)
Field of Science: Earth Sciences
Scalable three-dimensional adaptive and non-adaptive spectral methods for the study of nonlinear phenomena in the geosciences
Duane Rosenberg (National Center for Atmospheric Research)
Field of Science: Advanced Scientific Computing
TURBULENCE AND MAGNETIC FIELDS IN ASTROPHYSICAL PLASMAS
William Dorland (University of Maryland, College Park)
Field of Science: Astronomical Sciences
Enhanced Molecular Dynamics Simulations to Study the Kinetics of G ProteinCoupled Receptor Oligomerization
Marta Filizola (Mount Sinai School of Medicine)
Field of Science: Biological and Critical Systems
Research, implementation and testing of an ultra-scalable 3D FFT library
Dmitry Pekurovsky (University of California-San Diego)
Field of Science: Advanced Scientific Computing
The phase structure of 12 fermion SU(3) systems
Anna Hasenfratz (University of Colorado)
Field of Science: Physics
Startup allocation for Campus Champion
Tajendra Vir Singh (University of California-Los Angeles)
Field of Science: Training
Star Formation in Turbulent Magnetohydrodynamical Clouds using Adaptive Mesh Refinement
David Collins (University of California-San Diego)
Field of Science: Astronomical Sciences
Campus Champion for Montana State University
Pol Llovet (Montana State University)
Field of Science: Training
The electronic structure and charge carrier driven chemistry on solid surfaces
Jin Zhao (University of Pittsburgh)
Field of Science: Chemistry
First-principles molecular dynamics investigation of catalytic transformation of sugars
Jingguang Chen (University of Delaware)
Field of Science: Chemistry
Novel Monolignols: Structure and reactivity in lignin synthesis
Amandeep Sangha (Oak Ridge National Laboratory)
Field of Science: Molecular Biosciences
The Oxidation of Silicon Carbide and Structure-Defects-Mobility Relations
Xiao Shen (Vanderbilt University)
Field of Science: Materials Research
Campus Champion for West Virginia University
Don McLaughlin (West Virginia University)
Field of Science: Computer and Computation Research
Computational Studies of Cosmological Structure on the Largest Scales: Galaxy Clusters and Filaments
Eric Hallman (Tech-X Corporation)
Field of Science: Astronomical Sciences
The Illustris Project - Cosmological hydrodynamics on a moving mesh
Lars Hernquist (Harvard University)
Field of Science: Astronomical Sciences
Molecular dynamic simulations of paclitaxel-microtubule complexes
Susan Bane (SUNY at Binghamton)
Field of Science: Molecular Biosciences
The Madden Julian Oscillation in Super-Parameterized Climate Simulations
Michael Pritchard (University of Washington)
Field of Science: Atmospheric Sciences
Cactus and Einstein Toolkit developer community support
Frank Loeffler (Louisiana State University)
Field of Science: Advanced Scientific Computing
Hydrogel
Seung Soon Jang (Georgia Institute of Technology)
Field of Science: Molecular Biosciences
Determination of the conformation of polypeptides in solution as well as on a surface using molecular dynamics simulation
Ganesan Narsimhan (Purdue University)
Field of Science: Molecular Biosciences
Predicting binding specificities of influenza virus hamagglutinin to human and avian receptors
Dong Xu (Boise State University)
Field of Science: Molecular Biosciences
Virtual Identification of Mechanism Based Oncogene Inhibitors Using Computational Docking
Yuri Peterson (Medical University of South Carolina)
Field of Science: Molecular Biosciences
Simulation of Electronic Non-Adiabatic Dynamics
Theresa Windus (Iowa State University)
Field of Science: Chemistry
Chemical Enrichment of the Young Solar System
Fabian Heitsch (University of North Carolina, Chapel Hill)
Field of Science: Astronomical Sciences
Computational Modeling of Structures and Catalytic Reactions of d0 Metal Compounds Involving Si-H, Si-N and C-N Bonds
Aaron Sadow (Iowa State University)
Field of Science: Chemistry
Generation of the 100M-atom chromatophore input dataset for the NAMD Blue Waters petascale benchmark
Robert A Fiedler (Cray, Inc.)
Field of Science: Advanced Scientific Computing
Detecting Fleeting Reaction Intermediates
Richard Zare (Stanford University)
Field of Science: Chemistry
Multiscale Atomistic Simulations of Metal-Oxygen Surface Interactions
Alan McGaughey (Carnegie Mellon University)
Field of Science: Materials Research
Beta-decay rates of r-process nuclei using the Quasiparticle Random Phase Approximation
Matt Braby (University of North Carolina, Chapel Hill)
Field of Science: Physics
Lattice-Boltzmann Studies of Turbulence, Blood flow and Liquid Crystals, and Molecular Dynamics Studies for Nanoscience and Immunology
Bruce Boghosian (Tufts University)
Field of Science: Advanced Scientific Computing
Large Suite of Dark Matter Simulations (LasDamas)
Andreas Berlind (Vanderbilt University)
Field of Science: Astronomical Sciences
Magneto-hydrodynamics in Clusters of Galaxies
Thomas Jones (University of Minnesota)
Field of Science: Astronomical Sciences
Molecular Dynamics Simulations of Dense Matter
Charles J. Horowitz (Indiana University)
Field of Science: Astronomical Sciences
Study of lattice strain evolution in polycrystalline materials using full field crystal plasticity FFT model
Anand Kanjarla (Los Alamos National Laboratory)
Field of Science: Mechanical and Structural Systems
Bodega Bay Applied Phylogenetics Workshop
Brian Moore (University of California-Davis)
Field of Science: Environmental Biology
Campus Champion for Marshall University
Jack Smith (Marshall University)
Field of Science: Chemistry
Computational modeling of molecular systems for solar energy utilization
Cynthia Lo (Washington University in St. Louis)
Field of Science: Chemical, Thermal Systems
Atomic-detail investigation of the Sodium-Iodide Symporter (NIS) binding sites and PI3K activation mechanism.
Mario Amzel (Johns Hopkins University)
Field of Science: Molecular Biosciences
Radiative MHD Simulations of Turbulent Solar Dynamics
Alexander Kosovichev (Stanford University)
Field of Science: Atmospheric Sciences
Constrained Galaxy Formation & Evolution
Emilio Romano-Diaz (University of Kentucky)
Field of Science: Astronomical Sciences
Performance Evaluation Using the TAU Performance System
Sameer Shende (University of Oregon)
Field of Science: Advanced Scientific Computing
A large-scale Weather Research and Forecasting-Chemistry (WRF-Chem) model simulation used to support GOES-R Advanced Baseline Imager research activities
Jason Otkin (University of Wisconsin-Madison)
Field of Science: Atmospheric Sciences
Problem Decomposition Research
Richard Otero (Georgia Institute of Technology)
Field of Science: Design and Manufacturing Systems
Computer simulations of protein-protein interactions
Sameer Varma (University of South Florida)
Field of Science: Molecular Biosciences
Atomistic simulations on nuclear receptor RXR complex and on the organic solvent-dependent motions of an extremophilic lipase
Tongye Shen (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Kinetic simulation of turbulent reconnections
Pin Wu (University of Delaware)
Field of Science: Earth Sciences
Simulations of Poly-arylene Polymers and Carbon Nanotubes
Jeffery Saven (University of Pennsylvania)
Field of Science: Chemistry
Multibody fluid-structure interactions in turbulent flows
Elias Balaras (George Washington University)
Field of Science: Chemical, Thermal Systems
Studying the Detailed Physics of the Intracluster Medium in Clusters of Galaxies with the FLASH Code
John ZuHone (Harvard University)
Field of Science: Astronomical Sciences
Formation of Interstellar Molecular Clouds: Parker Instability with Phase Transitions
Telemachos Mouschovias (University of Illinois at Urbana-Champaign)
Field of Science: Astronomical Sciences
Surfaces and interfaces at the nanoscale
Henry Pinto (Jackson State University)
Field of Science: Physics
Protein and Metal Ion Coordination Important in Neurodegenerative Diseases
Orkid Coskuner (University of Texas at San Antonio)
Field of Science: Chemistry
Preparing to Swim in Blue Waters: Cosmic Re-Ionization at Full Scale on NICS Kraken
Robert Harkness (University of California-San Diego)
Field of Science: Astronomical Sciences
FROM STAR FORMATION TO SUPERNOVAE : ASTROCHEMISTRY OF TURBULENT GMC MODELS AND STUDIES OF TYPE Ia SUPERNOVAE
Robert Fisher (University of Massachusetts, Dartmouth)
Field of Science: Astronomical Sciences
Spin Density Optimized Density Functionals
Gary Washington (United States Military Academy)
Field of Science: Chemistry
The formation of the first stars in extreme environments
Priyamvada Natarajan (Yale University)
Field of Science: Astronomical Sciences
Simulating The Inner Magnetospheric Environment
Mostafa El-Alaoui (University of California-Los Angeles)
Field of Science: Atmospheric Sciences
Exploring the Chemical Landscape for Base Excision DNA Repair
Ivaylo Ivanov (Georgia State University)
Field of Science: Chemistry
Designing Cement from Atomistic Simulations
Hegoi Manzano (Massachusetts Institute of Technology)
Field of Science: Materials Research
Coarse-Grained Molecular Dynamics Simulations of Virus Assembly
Stephen Harvey (Georgia Institute of Technology)
Field of Science: Molecular Biosciences
Statistical Modeling of Avian Distributional Dynamics on the Teragrid: Support for The Phenological Atlas of North American Birds
Daniel Fink (Cornell University)
Field of Science: Environmental Biology
Ultrasound Wave Propagation and Scattering in Three Dimensions
Robert Waag (University of Rochester)
Field of Science: Mathematical Sciences
Calculations of single-scattering properties of small ice crystals in cirrus for climate implication
Jun Shik Um (University of Illinois at Urbana-Champaign)
Field of Science: Atmospheric Sciences
Space Radiation Estimation and Prediction on TeraGrid
Liwen Shih (University of Houston-Clear Lake)
Field of Science: Computer and Computation Research
Performance Analysis of Quantum-Mechanical Computational Chemistry Codes
Victor Anisimov (University of Illinois at Urbana-Champaign)
Field of Science: Chemistry
Accelerated MD on GPUs
Levi Pierce (Univeristy of California San Diego)
Field of Science: Molecular Biosciences
Ligand binding mechanism in the visual photoreceptor opsin
Thomas Huber (Rockefeller University)
Field of Science: Astronomical Sciences
Direct Numerical Simulation of Bubble Dynamics in Deformable Vessels
Timothy Colonius (California Institute of Technology)
Field of Science: Chemical, Thermal Systems
Creating High Resolution Tornado Simulations for Spatiotemporal Data Mining
Amy McGovern (University of Oklahoma)
Field of Science: Atmospheric Sciences
CAPS Spring Runs - 2010
Ming Xue (University of Oklahoma)
Field of Science: Atmospheric Sciences
The Fate of Double White Dwarf Binary Stars
Patrick Motl (Indiana University Kokomo)
Field of Science: Astronomical Sciences
Global tropospheric chemical transport of passive tracers using the multiscale model framework
William Collins (Lawrence Berkeley National Laboratory)
Field of Science: Atmospheric Sciences
Chemical Transport in the Multiscale Modeling Framework (MMF): Implications for Convective Mixing and Aerosol Transport
William Collins (Lawrence Berkeley National Laboratory)
Field of Science: Atmospheric Sciences
Linked Environments for Atmospheric Discovery
Suresh Marru (Indiana University)
Field of Science: Atmospheric Sciences
Kinetic Simulations of Ionospheric Waves and Turbulence
Meers Oppenheim (Boston University)
Field of Science: Atmospheric Sciences
Resolving ocean mesoscale eddies in climate change simulations
Frank Bryan (National Center for Atmospheric Research)
Field of Science: Atmospheric Sciences
Preparing for Petascale Tornadic Thunderstorm Simulations On Blue Waters
Leigh G. Orf (Central Michigan University)
Field of Science: Atmospheric Sciences
Kinetic Simulations of Collisional Ionospheric Waves and Turbulence
Meers Oppenheim (Boston University)
Field of Science: Atmospheric Sciences
Simulations of the 18 March 1925 Tri-State Tornado Outbreak
Matthew Gilmore (University of North Dakota)
Field of Science: Atmospheric Sciences
Influence of the near-storm environment and microphysics on supercell tornado longevity and intensity
Matthew Gilmore (University of North Dakota)
Field of Science: Atmospheric Sciences
Campus Champions program for the University of Kentucky
Qiyou Jiang (Rice University)
Field of Science: Computer and Computation Research
Testing General Relativity using Accreting Black Holes
Jonathan McKinney (Stanford University)
Field of Science: Physics
High Performance Data Analytics and Machine Learning Framework
Dong Ryeol Lee (Georgia Institute of Technology)
Field of Science: Computer and Computation Research
ORNL Environmental Science GPGPU Working Group
Pete Eby (Oak Ridge National Laboratory)
Field of Science: Atmospheric Sciences
Turbulent flow and large surface wave events in the marine boundary layers
Peter Sullivan (National Center for Atmospheric Research)
Field of Science: Atmospheric Sciences
Campus Champion - Rutgers - Camden Campus, New startup to review, teach and learn XSEDE
Kevin Abbey (Rutgers, the State University of New Jersey)
Field of Science: Training
Simulations of AGN Jets in Galaxy Clusters
Brian Morsony (University of Wisconsin-Madison)
Field of Science: Astronomical Sciences
Climate System Noise in Climate Variability
Cecilia Bitz (University of Washington)
Field of Science: Atmospheric Sciences
Particle-In-Cell Simulations of Collisionless Magnetic Reconnection
Michael Swisdak (University of Maryland, College Park)
Field of Science: Atmospheric Sciences
HPC for the NEES network
Lelli Van Den Einde (San Diego Supercomputer Center)
Field of Science: Mechanical and Structural Systems
Mathematical Modeling of Heart Rhythm Disorders
Xiaopeng Zhao (University of Tennessee, Knoxville)
Field of Science: Biological and Critical Systems
CSE 260/160 - Course in Parallel Computation
Scott B. Baden (University of California-San Diego)
Field of Science: Computer and Computation Research
Loosely-coupled programming for highly-parallel applications
Michael Wilde (Argonne National Laboratory)
Field of Science: Computer and Computation Research
Campus Champions Program - Yale University
Brian Dobbins (Yale University)
Field of Science: Computer and Computation Research
Campus Champion for Lamar University
Lawrence Osborne (Lamar University-Beaumont)
Field of Science: Computer and Computation Research
Large-scale Parallel Discrete Event Simulation of Communication Networks for CyberSecurity
David Bauer (MITRE)
Field of Science: Computer and Computation Research
Benchmarking Weather Research and Forecasting (WRF) Model
Donald Morton (University of Alaska, Fairbanks)
Field of Science: Computer and Computation Research
Parallelization of a Finite Element Code for Petascale Dynamics Modeling
Yifeng Cui (University of California-San Diego)
Field of Science: Computer and Computation Research
Performance Analysis and Tuning for PTCLM Climate Modeling
Haihang You (National Institute for Computational Sciences)
Field of Science: Computer and Computation Research
GPU-based Lossless High-speed Data Compression
Martin Burtscher (Texas State University)
Field of Science: Computer and Computation Research
Campus Champion Account
Vikram Gazula (University of Kentucky)
Field of Science: Cross-Disciplinary Activities
Microstructure of suspensions and granular flows
James Gilchrist (Lehigh University)
Field of Science: Chemical, Thermal Systems
Self-consistent simulations of particle acceleration in astrophysical collisionless shocks
Anatoly Spitkovsky (Princeton University)
Field of Science: Astronomical Sciences
Teragrid Resource Allocations to Extend WRF Into New Computational Frontiers
Donald Morton (University of Alaska, Fairbanks)
Field of Science: Computer and Computation Research
The Topological and Functional Landscape of Probablistic Boolean Circuits
Simon DeDeo (Santa Fe Institute)
Field of Science: Integrative Biology and Neuroscience
Molecular Simulation of Single-Walled Carbon Nanotube Sensor Devices
Richard Braatz (Massachusetts Institute of Technology)
Field of Science: Materials Research
GridAMP: Asteroseismic Modeling Portal
Matthew Woitaszek (National Center for Atmospheric Research)
Field of Science: Cross-Disciplinary Activities
Surface Adsorption on Terraces and Nanotubes
Alain Phares (Villanova University)
Field of Science: Chemistry
Global Kinetic Simulations of the Magnetosphere
Homayoun Karimabadi (University of California-San Diego)
Field of Science: Atmospheric Sciences
Campus Champion for University of Oklahoma
Henry Neeman (University of Oklahoma)
Field of Science: Cross-Disciplinary Activities
Novel Ferritin Nanoparticles: Classical Molecular Dynamics Simulations of Ion Transport into the Ferritin Core
Deborah Evans (University of New Mexico)
Field of Science: Chemistry
Pre-reactive complexes of hydroxyl radical
Rudolf Burcl (Marshall University)
Field of Science: Chemistry
Integrated antimicrobial drug discovery scheme for multi-drug resistant bacteria
Guillermina Estiu (University of Notre Dame)
Field of Science: Chemistry
Protein Nanocomposites for Bio-Fuel Cells and Bio-Sensors
Venkatesan Renugopalakrishnan (Northeastern University)
Field of Science: Chemistry
Free energy calculations guided design of inhibitors of protein-protein interactions
Julien Michel (Yale University)
Field of Science: Chemistry
LES and DNS of Turbulent Spatially Evolving Boundary Layers in Pressure Gradient Flows Via Multi-Scale Method
Luciano Castillo (Texas Tech University)
Field of Science: Chemical, Thermal Systems
Parallel Adaptive Wavelet Collocation Method for the Simulation of Compressible Reactive Flows
Samuel Paolucci (University of Notre Dame)
Field of Science: Advanced Scientific Computing
VampirTraceGPU
Guido Juckeland (Technische Universitaet Dresden)
Field of Science: Advanced Scientific Computing
MOLECULAR DYNAMIC SIMULATION STUDIES OF POLY-DOTS: NEW LIGHT EMMITING NANOPARTICLES
Dvora Perahia (Clemson University)
Field of Science: Chemistry
Computational Studies of Complex Biological Systems
Preston Benoni Moore (University of the Sciences in Philadelphia)
Field of Science: Computer and Computation Research
Prediction of Heisenberg exchange coupling constant using DFT+U
Artem Masunov (University of Central Florida)
Field of Science: Chemistry
Theoretical Investigation of Possible Mechanisms of Fluorescence Intermittency
Rudolph Marcus (California Institute of Technology)
Field of Science: Chemistry
First Principles Based Modeling of Proton Diffusion in Decorated Carbon Nanotubes as Structurally Defined Systems for Proton Exchange Membranes
Stephen Paddison (University of Tennessee, Knoxville)
Field of Science: Chemistry
computational studies on protein-ligand interactions
Xiaoqin Huang (University of Kentucky)
Field of Science: Chemistry
Interaction of aromatic molecules with metal surfaces
Sampyo Hong (University of Central Florida)
Field of Science: Chemistry
First Principles Based Modeling of Proton Diffusion in Decorated Carbon Nanotubes as Structurally Defined Systems for Proton Exchange Membranes
Stephen Paddison (University of Tennessee, Knoxville)
Field of Science: Chemistry
Phase separation by molecular Dyanmics on GPUs
Bernard Pettitt (University of Texas Medical Branch)
Field of Science: Chemistry
Applications of Bis-peptide nanostructures
Christian Schafmeister (Temple University)
Field of Science: Chemistry
COMPUTATIONAL STUDY OF SOOT FORMATION PROCESS IN COMBUSTION ENVIRONMENTS
Hairong Tao (University of Michigan)
Field of Science: Chemistry
Instantaneous Normal Mode Analysis of a Room-Temperature Ionic Liquid
Mark Kobrak (CUNY Brooklyn College)
Field of Science: Chemistry
Mesoscopic and coarse-grained modeling of reticulated intracellular membranes
Edward Lyman (University of Delaware)
Field of Science: Chemistry
Computational studies of complex processes in biological macromolecular sys.
Benoit Roux (University of Chicago)
Field of Science: Chemistry
Large Eddy Simulation of Turbulent Combustion via the Filtered Density Function
Peyman Givi (University of Pittsburgh)
Field of Science: Chemical, Thermal Systems
Development and Evaluation of a New Initialization Technique for Weather Forecasting Ensembles
Isidora Jankov (Cooperative Institute for Research in the Atmosphere)
Field of Science: Atmospheric Sciences
Molecular dynamics studies of nanofluidic systems
Petr Kral (University of Illinois at Chicago)
Field of Science: Chemistry
Inhomogeneous Alfven Turbulence in the Solar Wind
Jean Perez (University of New Hampshire)
Field of Science: Atmospheric Sciences
Direct Numerical Simulation of Transitional and Turbulent Flows with Active Control
Sedat Biringen (University of Colorado)
Field of Science: Chemical, Thermal Systems
Scalable Hierarchical Algorithms with Applications in Fluids and Biology
Lorena Barba (Boston University)
Field of Science: Advanced Scientific Computing
Numerical Simulations of Dust Destruction in Supernova Remnants
Devin Silvia (University of Colorado)
Field of Science: Astronomical Sciences
eaviv - Distributed visualization
Andrei Hutanu (Louisiana State University)
Field of Science: Computer and Computation Research
Study of Complex Materials with GW approximation
Adolfo Eguiluz (University of Tennessee)
Field of Science: Materials Research
Non-adiabatic Electron Molecular Dynamics for Describing Material Properties and Phenomena in Extreme Conditions
Andres Jaramillo-Botero (California Institute of Technology)
Field of Science: Chemistry
Molecular dynamics of rod-coil block copolymers
Bradley Olsen (Massachusetts Institute of Technology)
Field of Science: Materials Research
Molecular Dynamics simulations of PTEN in solution and in the lipid membrane-associated state
Hirsh Nanda (Carnegie Mellon University)
Field of Science: Molecular Biosciences
CondorUSGS
Kent Wenger (Condor Team)
Field of Science: Earth Sciences
Campus Champion for Mississippi State University
Trey Breckenridge (Mississippi State University)
Field of Science: Advanced Scientific Computing
Campus Champions program for University of Arkansas
David Chaffin (University of Arkansas)
Field of Science: Advanced Scientific Computing
Thermonuclear Bursts on the Surfaces of \Compact Astrophysical Objects
Michael Zingale (SUNY at Stony Brook)
Field of Science: Astronomical Sciences
MULTISCALE SIMULATIONS OF ELECTROCHEMICAL SYSTEMS
Narayana Aluru (University of Illinois at Urbana-Champaign)
Field of Science: Cross-Disciplinary Activities
Direct numerical simulation of turbulent flow over a surface mounted obstacle
Nikolaos Malamataris (George Mason University)
Field of Science: Chemical, Thermal Systems
SunFlo3DI - Scalable Unstructured Flow Solver
Resat Payli (Indiana University-Purdue University, Indianapolis)
Field of Science: Chemical, Thermal Systems
Fully resolved simulation of self-propelling fish
Neleesh Patankar (Northwestern University)
Field of Science: Chemical, Thermal Systems
Effects of Heat Loss on Premixed Flames in Micro-Scale Combustor
Hong Im (University of Michigan)
Field of Science: Chemical, Thermal Systems
Introduction to Computational Science and Parallel Computing
Lawrence Osborne (Lamar University-Beaumont)
Field of Science: Advanced Scientific Computing
New Scoring, Assembly and Evaluation Techniques for Protein Structure
Dong Xu (University of Missouri)
Field of Science: Computer and Computation Research
Large-scale molecular dynamics and discrete-state modeling of Cl- transport through CmCLC transporter
Rob Coalson (University of Pittsburgh)
Field of Science: Molecular Biosciences
Startup Allocation : Star Formation on the TeraGrid Obtaining Direct Evidence for Ambipolar Diffusion in Astrophysical Turbulence
Dinshaw Balsara (University of Notre Dame)
Field of Science: Astronomical Sciences
Graph Hyperbolicity and Treelike Structure
Blair Sullivan (Oak Ridge National Laboratory)
Field of Science: Mathematical Sciences
Understanding the Nature of the Missing Baryons and the Warm/Hot Intergalactic Medium
Britton Smith (Michigan State University)
Field of Science: Astronomical Sciences
Nonlinear aeroelastic effects for large deformation structures
Paul Cizmas (Texas A&M University)
Field of Science: Advanced Scientific Computing
Direct numerical simulations of fluidized bed reactors using a Lagrangian-Eulerian approach
Perrine Pepiot (Cornell University)
Field of Science: Advanced Scientific Computing
SHORT-TERM CLIMATE SIMULATIONS USING THE CCSM
Peter Gent (National Center for Atmospheric Research)
Field of Science: Atmospheric Sciences
Massively Parallel PIC simulations of Ionospheric Gradient Driven Plasma Irregularities
Yann Tambouret (Boston University)
Field of Science: Atmospheric Sciences
Campus Champion Program
Arun Datta (National University)
Field of Science: Computer and Computation Research
Development of Scalable Unstructured Flow Solver for Incompressible Fluid Flow Problems (SunFlo3DI) and Data Centric Computing for Scientific Visualization
Resat Payli (Indiana University-Purdue University, Indianapolis)
Field of Science: Chemical, Thermal Systems
Finite Element Simulations of Spontaneous Rupture Propagation of Recent Large Earthquakes
Benchun Duan (Texas A&M University)
Field of Science: Earth Sciences
Hadronic Contributions to the muon g-2
Christopher Aubin (Fordham University)
Field of Science: Physics
Searching for correlations between structural properties and stability in molecular materials
Onise Sharia (University of Maryland, College Park)
Field of Science: Materials Research
educating graduate students parallel computing
Yuefan Deng (SUNY at Stony Brook)
Field of Science: Mathematical Sciences
GPU accelerated adaptive QMMM MD with AMBER and TeraChem
Andreas Goetz (University of California-San Diego)
Field of Science: Chemistry
Campus Champions Program for Mississippi State University
Roger Smith (Mississippi State University)
Field of Science: Advanced Scientific Computing
NWChem on TeraGrid: QA, Testing, Tuning, and Benchmarking
Wibe De Jong (Pacific Northwest National Laboratory)
Field of Science: Chemistry
Computational studies of iso-polyhalomethanes
Scott Reid (Marquette University)
Field of Science: Chemistry
Predicting Kinetics Using Quantum Chemistry
Linda Broadbelt (Northwestern University)
Field of Science: Chemical, Thermal Systems
DNS of spatially developing turbulent boundary layers
Antonino Ferrante (University of Washington)
Field of Science: Chemical, Thermal Systems
Thermonuclear Bursts on the Surfaces of Compact Astrophysical Objects
Alan Calder (SUNY at Stony Brook)
Field of Science: Astronomical Sciences
Large eddy simulation of turbulent wind over realistic seas with frequent wave breaking events
Tetsu Hara (University of Rhode Island)
Field of Science: Ocean Sciences
Scaling up GraphLab large scale machine learning framework
Carlos Guestrin (Carnegie Mellon University)
Field of Science: Information, Robotics, and Intelligent Systems
Nanobiotechnology
Predrag Krstic (Oak Ridge National Laboratory)
Field of Science: Physics
Pseudospectral Methods on GPUS
Benson Muite (University of Michigan)
Field of Science: Mathematical Sciences
Campus Champions Program for Marquette University
Craig Struble (Marquette University)
Field of Science: Training
Hydrodynamic Modeling of Control Surfaces/ Pectoral Fins
Meliha Kavukcuoglu (Franklin Olin College of Engineering)
Field of Science: Advanced Scientific Computing
Ab initio modelling of materials for energy and information technologies
Richard Hennig (Cornell University)
Field of Science: Materials Research
Massively parallel Particle-in-cell simulations of Ionospheric Gradient Driven Plasma Irregularities
Yann Tambouret (Boston University)
Field of Science: Atmospheric Sciences
Environmental Impacts on White Nose Syndrome in Bats
Thomas Hallam (University of Tennessee, Knoxville)
Field of Science: Environmental Biology
Code Porting
Vikram Gazula (University of Kentucky)
Field of Science: Educational
Accurate Direct Numerical Simulations of Magnetically-Driven Gamma-Ray Bursts and Supernovae
Roger Blandford (Stanford University)
Field of Science: Astronomical Sciences
Active Flow Control for Wind Turbine Applications
Andreas Gross (University of Arizona)
Field of Science: Chemical, Thermal Systems
Parallel Computation of Stratified Fluid Flows
Kraig Winters (University of California-San Diego)
Field of Science: Advanced Scientific Computing
Multi-Scale Simulation of Multiphase Interface Dynamics in Complex Turbulent Flows
Marcus Herrmann (Arizona State University)
Field of Science: Chemical, Thermal Systems
Local Simulations of Instabilities in Relativistic, Magnetized, Astrophysical Jets
Sean ONeill (University of Colorado)
Field of Science: Astronomical Sciences
Portal Testing Account
Jason Kastner (University of Illinois at Urbana-Champaign)
Field of Science: Training
Molecular dynamics of biological and nanoscale systems over microseconds
Michael Klein (Temple University)
Field of Science: Chemistry
Interaction of Ethene with Single Wall Carbon Nanotubes
Daniel Lawson (University of Michigan, Dearborn)
Field of Science: Chemistry
Highly Parallel Parameter Estimation for Groundwater Flow
Willem Schreuder (University of Colorado)
Field of Science: Chemical, Thermal Systems
Direct numerical simulation of separated turbulent three dimensional flows.
Nikolaos Malamataris (George Mason University)
Field of Science: Chemical, Thermal Systems
Direct Numerical Simulation of Electrohydrodynamic Atomization
Olivier Desjardins (Cornell University)
Field of Science: Chemical, Thermal Systems
Unsteady Simulations of Round Jet Microjet Combination for Noise Suppression
Luc Mongeau (Purdue University)
Field of Science: Chemical, Thermal Systems
Evaluation and Optimization of a Parallel Immersed Boundary Flow Solver for Biological Applications
Rajat Mittal (Johns Hopkins University)
Field of Science: Chemical, Thermal Systems
Reduced-order models for control of fluids
Clarence Rowley (Princeton University)
Field of Science: Chemical, Thermal Systems
Direct Numerical Simulation of Particle-laden Turbulent Flows
Lance Collins (Cornell University)
Field of Science: Chemical, Thermal Systems
MOLECULAR DYNAMICS SIMULATIONS OF THE GROWTH AND AGGLOMERATION OF CARBONACEOUS NANOPARTICLES IN REACTIVE FLOW
Soumik Banerjee (University of Michigan)
Field of Science: Chemical, Thermal Systems
Multiphase flow modelling in chemical processes
Krishnaswamy Nandakumar (Louisiana State University)
Field of Science: Chemical, Thermal Systems
Advanced Computational Techniques for Fire Suppression Systems
Sophia Lefantzi (Sandia National Laboratories)
Field of Science: Chemical, Thermal Systems
The adsorption of dipolar molecules subject to the fluid flow
Seth Lichter (Northwestern University)
Field of Science: Chemical, Thermal Systems
Simulations of turbulent mixing driven by strong shocks
Praveen Ramaprabhu (University of North Carolina, Charlotte)
Field of Science: Chemical, Thermal Systems
Dense discrete phase fluid-particulate simulations using OpenMP
Danesh Tafti (Virginia Polytechnic Institute and State University)
Field of Science: Chemical, Thermal Systems
Conjugate Heat Transfer of Stagnating Boundary Layer with Film Cooling
Andrew Duggleby (Texas A&M University)
Field of Science: Chemical, Thermal Systems
Compiler/Runtime Optimization for Heterogeneous Parallel Computing
Ponnuswamy Sadayappan (Ohio State University)
Field of Science: Computer and Computation Research
Campus Champion for UNC Chapel Hill
Mark Reed (University of North Carolina, Chapel Hill)
Field of Science: Cross-Disciplinary Activities
Large Eddy Simulation Investigations of Aviation Environmental Impacts
Sanjiva Lele (Stanford University)
Field of Science: Chemical, Thermal Systems
Computational Explorations in to Population Level Disease Spread using Agent Based Modeling
Shawn Brown (University of Pittsburgh)
Field of Science: Environmental Biology
MHD Simulations of AGN Jets in Galaxy Clusters
Brian Morsony (University of Wisconsin-Madison)
Field of Science: Astronomical Sciences
Molecular Dynamics Simulations of Graphene Solutions for the Rational Design of Stable Graphene Dispersions
Daniel Blankschtein (Massachusetts Institute of Technology)
Field of Science: Materials Research
Computational Studies of RNA Recognition and Catalysis
Maria Nagan (Truman State University)
Field of Science: Chemistry
Computational Chemistry Method Development and Applications
Angela Wilson (University of North Texas)
Field of Science: Chemistry
Molecular Dynamics Simulation of Thermal Transport in Thermal Interface Materials
Tengfei Luo (University of Notre Dame)
Field of Science: Chemical, Thermal Systems
Lattice Boltzmann Model (LBM) based Simulations for Nuclear Reactor Thermo-Hydraulics
Prashant Jain (Oak Ridge National Laboratory)
Field of Science: Chemical, Thermal Systems
Direct Numerical Simulation of Reacting Compressible Turbulent Flows
Cyrus Madnia (SUNY at Buffalo)
Field of Science: Chemical, Thermal Systems
Direct numerical simulation of turbulent sooting flames
Wei Wang (University of Tennessee, Knoxville)
Field of Science: Chemical, Thermal Systems
TeraGrid Startup Allocation Request for Molecular Dynamics Simulations of Thermal Resistance at the Graphite/Water Interface
Ali Beskok (Old Dominion University)
Field of Science: Chemical, Thermal Systems
SI2-SSI: A Productive and Accessible Development Workbench for HPC Applications Using the Eclipse Parallel Tools Platform
Jay Alameda (University of Illinois at Urbana-Champaign)
Field of Science: Advanced Scientific Computing
Magnetic Reconnection in High-Energy-Density Laser-Produced Plasmas
William Fox (University of New Hampshire)
Field of Science: Physics
Star Formation in Galaxies: From Recipes to Real Physics
Mark Krumholz (University of California-Santa Cruz)
Field of Science: Astronomical Sciences
Toward Sustainability of the High Plains Aquifer Region: Coupled Landscape, Atmosphere, and Socioeconomic Systems
Sharon Zhong (Michigan State University)
Field of Science: Atmospheric Sciences
THE PROPERTIES OF INVERSE CASCADES IN ROTATING TURBULENCE
Annick Pouquet (National Center for Atmospheric Research)
Field of Science: Physics
Computational studies of conformational entropy effects and optimization of ligand binding
James Crooks (University of Chicago)
Field of Science: Molecular Biosciences
Research Allocation(TRAC) : Star Formation on the TeraGrid Obtaining Direct Evidence for Ambipolar Diffusion in Astrophysical
Dinshaw Balsara (University of Notre Dame)
Field of Science: Astronomical Sciences
PHOTOSPHERIC EMISSION OF MAGNETIZED AND EXTREME GAMMA-RAY BURST JETS
Diego Lopez-Camara (North Carolina State University at Raleigh)
Field of Science: Astronomical Sciences
Potential Energy Surfaces for Hydrogen Quantum Dynamics in Porous Materials
Juergen Eckert (University of California-Santa Barbara)
Field of Science: Chemistry
New QM/MM approaches for high performance molecular dynamics simulations of condensed phase biological systems
Andreas Goetz (University of California-San Diego)
Field of Science: Chemistry
Benchmarking and parallel algorithm improvement for CHARMM with an application to carbohydrate modeling.
Eric Knoll (National Renewable Energy Laboratory)
Field of Science: Advanced Scientific Computing
Social Informatics Data Grid
Sarah Kenny (University of Chicago)
Field of Science: Behavioral and Neural Sciences
Developing Grid Aware Reservoir Simulation Tools and Technologies
Yaakoub El Khamra (University of Texas at Austin)
Field of Science: Design and Manufacturing Systems
Performance Analysis of OMEN
Mathieu Luisier (ETH Zurich)
Field of Science: Design and Manufacturing Systems
Dynamics and Contoral of Epidemics on Networks
Marcel Salathe (Stanford University)
Field of Science: Environmental Biology
Evolutionary bet-hedging and phenotypic plasticity in complex environments: the role of epigenetic architecture, host-parasite interactions, and niche construction
Marcus Feldman (Stanford University)
Field of Science: Environmental Biology
Electronic band structure investigations of complex oxides for photovoltaic applications
Julia Medvedeva (Missouri University of Science and Technology)
Field of Science: Materials Research
Ab-initio Molecular Dynamics Investigation of Complex Hydride Kinetics
Christopher Wolverton (Northwestern University)
Field of Science: Materials Research
Defects and phase stabilities of complex oxides under extreme conditions
Jianwei Wang (University of Michigan)
Field of Science: Materials Research
Ab-initio Molecular Dynamics Investigation of Complex Hydride Kinetics
Christopher Wolverton (Northwestern University)
Field of Science: Materials Research
Understanding Charge and Ion Transport
Xi Lin (Boston University)
Field of Science: Materials Research
Molecular Dynamics of Carbon Nanotube Growth
Boris Yakobson (Rice University)
Field of Science: Materials Research
Simulations of Strongly Correlated Systems
Juana Moreno (Louisiana State University)
Field of Science: Materials Research
Effects of a Disease-Associated Polymorphism on Conformations of an Intrinsically Unstructured Protein : Molecular Dynamics over Microseconds
Grace Brannigan (Rutgers, the State University of New Jersey)
Field of Science: Molecular Biosciences
Simulations of Gas Sorption in Metal-Organic Materials
Brian Space (University of South Florida)
Field of Science: Chemistry
Phase Transitions in Unsupervised Clustering - Applications to Processing Genomic Sequencing Data
Aaron Golden (Albert Einstein College of Medicine)
Field of Science: Molecular Biosciences
Realistic Simulation of Jet Engine Noise using Petaflop Computing
Gregory A. Blaisdell (Purdue University)
Field of Science: Chemical, Thermal Systems
QMC study of adsorption of nobel gases on Carbon Nanotubes
Wissam Al-Saidi (University of Pittsburgh)
Field of Science: Materials Research
Analysis of Tropocollagne-Hydroxyapatite (TC-HAP) nanocomposite material interface
Vikas Tomar (Purdue University)
Field of Science: Materials Research
Computational investigation on diffusional mechanism in metallic glassess
Yujie Wei (University of Alabama)
Field of Science: Materials Research
Quantitative Prediction of Hydrogen Traps in Steels and Relation to Embrittlement Behavior
Christopher Wolverton (Northwestern University)
Field of Science: Materials Research
First-principles calculation of Pb-salt quantum dot-molecule systems
Byung-Ryool Hyun (Cornell University)
Field of Science: Materials Research
Massively Parallel Computations of Fluid-Solid Transitions in Nanoconfined Fluids
Peter Cummings (Vanderbilt University)
Field of Science: Materials Research
ICMR/UC Santa Barbara Summer School on Materials Modeling
Francois Gygi (University of California-Davis)
Field of Science: Materials Research
Modeling of Coarsening in Solid Oxide Fuel Cell Electrodes
Hui-Chia Yu (University of Michigan)
Field of Science: Materials Research
The oxidation of silicon carbide and structure-defects-mobility relations
Xiao Shen (Vanderbilt University)
Field of Science: Materials Research
Quantum Monte Carlo Study of Lattice Hardcore Bosons with Diagonal Random Disorder
Kaushik Mitra (National Institute of Standards & Technology)
Field of Science: Materials Research
Computational Advanced Materials Endstation
Jacek Jakowski (University of Tennessee, Knoxville)
Field of Science: Materials Research
Increasing chemical reactivity of carbon materials via alkali metal dosing
Pabitra Choudhury (University of Pittsburgh)
Field of Science: Materials Research
Atomistic simulations of materials for energy storage and carbon capture
Donald J. Siegel (University of Michigan)
Field of Science: Materials Research
Chemical and thermodynamic stability of Pt clusters in the sub-nanometer regime
Marisol Alcantara Ortigoza (University of Central Florida)
Field of Science: Materials Research
Crystal structure prediction
Artem Oganov (SUNY at Stony Brook)
Field of Science: Materials Research
Large scaled first principle electronic structure simulation for nano-scaled materials systems
Shin Chou (National Institute of Standards and Technology)
Field of Science: Materials Research
Design of multifunctional superlattices by interface engineering
Xifan Wu (Temple University)
Field of Science: Materials Research
Stochastic Models of Fractured Dolomite Aquifers
Douglas Walker (University of Illinois at Urbana-Champaign)
Field of Science: Earth Sciences
Statistical Analysis via Filtering for Ultra-High Frequency Data
Yong Zeng (University of Missouri, Kansas City)
Field of Science: Mathematical Sciences
Multiscale Research on Assessment of Nanotoxicity
Jerzy Leszczynski (Jackson State University)
Field of Science: Materials Research
Campus Champions-Clemson University
James von Oehsen (Clemson University)
Field of Science: Mathematical Sciences
Parallel CLimate Data Analysis on SDSC Dash
John Dennis (National Center for Atmospheric Research)
Field of Science: Advanced Scientific Computing
Effect of the electrostatic interactions on lubrication in polymers and biological systems
Andrey Dobrynin (University of Connecticut)
Field of Science: Materials Research
Development of Parallel 3D Nonhydrostatic Spectral Element Atmospheric Model
James Kelly (Naval Postgraduate School)
Field of Science: Atmospheric Sciences
Investigating Deformation and Failure Mechanisms in Nanoscale Multilayer Metallic Composites Molecular Dynamics Studies
Hussein Zbib (Washington State University)
Field of Science: Materials Research
First-Principle Simulations of Particle Acceleration and Nonthermal Emission in Magnetically-Dominated Jets
Lorenzo Sironi (Harvard University)
Field of Science: Astronomical Sciences
Simulations for 2D and 3D dendrite growth during alloy solidification
Bohumir Jelinek (Mississippi State University)
Field of Science: Electrical and Communication Systems
IEEE Largescale Data Analysis and Visualization Contest
Sean Ahern (University of Tennessee, Oak Ridge)
Field of Science: Computer and Computation Research
Efficient Algorithms and Software for Eigen-related Problems
Yunkai Zhou (Southern Methodist University)
Field of Science: Mathematical Sciences
Efficient Lattice Boltzmann Methods for Multiphase and Multicomponent Flows
Li-Shi Luo (Old Dominion University)
Field of Science: Mathematical Sciences
Development of Compressible Immersed Boundary Solvers for Complex Flows and Aeroacoustics
Jung-Hee Seo (Johns Hopkins University)
Field of Science: Mathematical Sciences
Towards the Development of new numerical methods for Storm-Surge Modeling
Shivasubramanian Gopalakrishnan (Naval Postgraduate School)
Field of Science: Mathematical Sciences
blowup versus global existence for nonlinear wave equations
Wilhelm Schlag (University of Chicago)
Field of Science: Mathematical Sciences
Calculation of Ultrasound Wave Propagation in Three Dimensions
Robert Waag (University of Rochester)
Field of Science: Mathematical Sciences
Using Adaptivity to Enable Timely Hazardous Mass Flow Modeling and Risk Analysis
Abani Patra (SUNY at Buffalo)
Field of Science: Mathematical Sciences
Scaling spectral simulations on hybrid systems
Benson Muite (University of Michigan)
Field of Science: Mathematical Sciences
Accelerating the solution of large scale eigenvalue problems in density functional theory
Yunkai Zhou (Southern Methodist University)
Field of Science: Mathematical Sciences
Calculating an eddy-permitting Arctic & Sub-Polar State Estimate for climate research
Constantinos Evangelinos (Massachusetts Institute of Technology)
Field of Science: Polar Programs
Large Scale Molecular Dynamics Simulations of Geoliquids
Frank Spera (University of California-Santa Barbara)
Field of Science: Earth Sciences
CIG Science Gateway and Community Codes for the Geodynamics Community
Michael C. Gurnis (California Institute of Technology)
Field of Science: Earth Sciences
Scaling communication performance for massively parallel applications
Ashok Srinivasan (Florida State University)
Field of Science: Computer and Computation Research
J-Matrix Calculation of Two-Electron Eigenstates of the He Atom
Jean Marcel Ngoko Djiokap (University of Nebraska at Lincoln)
Field of Science: Physics
DMFT investigation of H Impurities in Semiconductors
William Butler (University of Alabama)
Field of Science: Physics
The Evolution of Galaxy-Dark Matter Connection
Jeremy Tinker (New York University)
Field of Science: Astronomical Sciences
Numerical Relativity and Black Hole Mergers
Erik Schnetter (Louisiana State University)
Field of Science: Physics
High-Frequency Simulations of Global Seismic Wave Propagation
Jeroen Tromp (Princeton University)
Field of Science: Earth Sciences
Physical Models for Active and Passive Microwave Remote Sensing of Snow in Greenland Ice Sheets
Leung Tsang (University of Washington)
Field of Science: Earth Sciences
Molecular Modeling of Nanoscale Structure and Dynamics of Geologically and Environmentally Important Aqueous Solutions and Substrate-Solution Interfaces
Andrey G. Kalinichev (Ecole des Mines de Nantes)
Field of Science: Earth Sciences
Mantle Convection and Plate Tectonics Simulations using CitcomS
Adrian Lenardic (Rice University)
Field of Science: Earth Sciences
Quantum Monte Carlo Calculation of the Perovskite to Post-Perovskite Phase Transition
Burkhard Militzer (University of California-Berkeley)
Field of Science: Earth Sciences
Earthquake ground motion simulations in the Wasatch Front: validation scenarios
Morgan Moschetti (US Geological Survey)
Field of Science: Earth Sciences
Effects of anelastic attenuation and seismic velocity on the amplitudes of earthquake ground motions in the Wasatch Front, UT
Morgan Moschetti (US Geological Survey)
Field of Science: Earth Sciences
Hybrid MPI/OpenMP computing of dynamic earthquake ruptures
Benchun Duan (Texas A&M University)
Field of Science: Earth Sciences
3D seismic modeling and imaging via a massively parallel direct Helmholtz solver
Maarten de Hoop (Purdue University)
Field of Science: Earth Sciences
Evolution of the Intergalactic Medium
Renyue Cen (Princeton University)
Field of Science: Astronomical Sciences
First principles study of the atomistic-level structure of C-S-H
Franz-Josef Ulm (Massachusetts Institute of Technology)
Field of Science: Physics
First-Principles study on C-S-H real structure and its physical properties
Sidney Yip (Massachusetts Institute of Technology)
Field of Science: Electrical and Communication Systems
Scalability Analysis of OMEN, a Multi-Level Parallel Simulator for to Nanoelectronic Devices
Faisal Saied (Purdue University)
Field of Science: Electrical and Communication Systems
Development of a Full-Core HTR Benchmark using MCNP5 and RELAP5-ATHENA
William Martin (University of Michigan)
Field of Science: Electrical and Communication Systems
Large Scale Atomistic Simulation of Quantum Transport through Heterogeneous Interface
Jing Guo (University of Florida)
Field of Science: Electrical and Communication Systems
Simulations of Cardiac Fluid Dynamics
Boyce Griffith (New York University)
Field of Science: Integrative Biology and Neuroscience
Development and Testing of a CFD Based SPMD Approach for Exploring Active Fin Control in a Knifefish
Noah Cowan (Johns Hopkins University)
Field of Science: Integrative Biology and Neuroscience
Neural Circuit Model for Decision Making Confidence
Rudiger von der Heydt (Johns Hopkins University)
Field of Science: Integrative Biology and Neuroscience
Progress Towards a Comprehensive Theory of Star Formation From Brown Dwarfs to High Mass Stars and on to Giant Molecular Clouds
Richard I. Klein (University of California-Berkeley)
Field of Science: Astronomical Sciences
Large scale simulations of multiple scattering of waves in random media and rough surfaces
Leung Tsang (University of Washington)
Field of Science: Earth Sciences
Supplemental allocation for Campus Champion
Roger Moye (Rice University)
Field of Science: Information, Robotics, and Intelligent Systems
CAMPUS CHAMPION FOR NORFOLK STATE UNIVERSITY
Eduardo Socolovsky (Norfolk State University)
Field of Science: Training
Computational studies of the CARRXR nuclear receptor dimer and the importance of heteroligand interactions
Ricky Nellas (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Computational Micro and Nanophotonics
Shanhui Fan (Stanford University)
Field of Science: Electrical and Communication Systems
Full Human Body Finite Element Modeling
Joel Stitzel (Wake Forest University)
Field of Science: Materials Research
Simulations of Semiconductor Nanoparticles
Giulia Galli (University of California-Davis)
Field of Science: Materials Research
High-Fidelity Numerical Simulations of Problems in Jet Aeroacoustics
Ali Uzun (Florida State University)
Field of Science: Advanced Scientific Computing
Theoretical study of the few body problem
Don Madison (Missouri University of Science and Technology)
Field of Science: Physics
Simulations of Supramolecular Biological Systems
Klaus Schulten (University of Illinois at Urbana-Champaign)
Field of Science: Molecular Biosciences
Direct numerical and large-eddy simulation of complex turbulent flows
Krishnan Mahesh (University of Minnesota)
Field of Science: Chemical, Thermal Systems
Intermittency in Interstellar Turbulence
Alexei Kritsuk (University of California-San Diego)
Field of Science: Astronomical Sciences
Direct Numerical Simulations of Turbulence Interactions with Developing Flames in Premixed and Stratified Mixtures
John Abraham (Purdue University)
Field of Science: Chemical, Thermal Systems
Visualization of High Resolution Numerical Simulation Data
Derek Posselt (University of Michigan)
Field of Science: Atmospheric Sciences
Campu Champion for University of Minnesota
Pedro da Silveira (University of Minnesota)
Field of Science: Earth Sciences
Multiscale Models for Biological Engineering
Yiannis N. Kaznessis (University of Minnesota)
Field of Science: Molecular Biosciences
Modeling continental CO2 inversion
William Riley (Lawrence Berkeley National Laboratory)
Field of Science: Atmospheric Sciences
Lattice QCD Study of Hadronic Interactions
Martin Savage (University of Washington)
Field of Science: Physics
Accelerating Nano-scale Transistor Innovation through Petascale Simulation
Gerhard Klimeck (Purdue University)
Field of Science: Electrical and Communication Systems
Coupling of Turbulent Compressible Solar Convection with Rotation, Shear and Magnetic Fields
Juri Toomre (University of Colorado)
Field of Science: Astronomical Sciences
Massively Parallel Geomorphology
Chris Hill (M.I.T)
Field of Science: Earth Sciences
Toward Petascale Cosmology with GADGET
Tiziana Di Matteo (Carnegie Mellon University)
Field of Science: Astronomical Sciences
Adaptive Tempering Monte Carlo
Estela Blaisten-Barojas (George Mason University)
Field of Science: Chemistry
Simulation of Quantum Systems
David M Ceperley (University of Illinois at Urbana-Champaign)
Field of Science: Materials Research
The Formation and Evolution of X-ray Clusters, Galaxies, and the First Stars
Greg L. Bryan (Columbia University in the City of New York)
Field of Science: Astronomical Sciences
Parallel Simulations of Blood Flow
George Karniadakis (Brown University)
Field of Science: Chemical, Thermal Systems
Quantum and Classical Simulations Applied to Biomolecular Systems
Michael Klein (Temple University)
Field of Science: Chemistry
Computational MHD for Astrophysical Systems
John Hawley (University of Virginia)
Field of Science: Astronomical Sciences
Supercell/Tornado Genesis, Structure and Evolution Studies
Robert Wilhelmson (University of Illinois at Urbana-Champaign)
Field of Science: Atmospheric Sciences
NAMD Tuning and Support
James Phillips (University of Illinois at Urbana-Champaign)
Field of Science: Molecular Biosciences
Lattice Field Theory Simulations
John B. Kogut (University of Maryland, College Park)
Field of Science: Physics
Scaling in Turbulence and Turbulent Mixing
Pui-kuen Yeung (Georgia Institute of Technology)
Field of Science: Chemical, Thermal Systems
Studies In Theoretical Astrophysics and General Relativity
Stuart Shapiro (University of Illinois at Urbana-Champaign)
Field of Science: Physics
Biomolecular Simulations: Proteins and Bilayers
Jeffry D. Madura (Duquesne University)
Field of Science: Chemistry
Why is the diurnal cycle of convection improved in a prototype multiscale climate model?
Richard Somerville (University of California-San Diego)
Field of Science: Atmospheric Sciences
Simulations of Sequence-Specific DNA-Binding Proteins
Arjan van der Vaart (University of South Florida)
Field of Science: Molecular Biosciences
Campus Champion
David Toth (Merrimack College)
Field of Science: Computer and Computation Research
Structural Study of a DNA Adduct
Suse Broyde (New York University)
Field of Science: Molecular Biosciences
Ligand binding mechanism in the visual photoreceptor opsin, a G-protein-coupled receptor (GPCR)
Thomas Huber (Rockefeller University)
Field of Science: Molecular Biosciences
Identification of Mechanism Based Inhibitors of Oncogene Pathways Using HighPerformance Docking
Bhanu Rekepalli (Oak Ridge National Laboratory)
Field of Science: Chemistry
Molecular Simulation of Membrane Receptors
Cameron Abrams (Drexel University)
Field of Science: Molecular Biosciences
Multiscale Modeling of Biomembranes
Roland Faller (University of California-Davis)
Field of Science: Molecular Biosciences
Molecular Mechanisms of Cadherin Dynamics and Sound Transduction
David Corey (Harvard University)
Field of Science: Molecular Biosciences
Structure Based Design of Cell Penetrating Peptides
Sandhya Kortagere (Drexel University)
Field of Science: Molecular Biosciences
A Web Interface for Scoring in Computational Drug Design (Renewal)
Samy Meroueh (Indiana University)
Field of Science: Molecular Biosciences
Molecular Biophysics Simulations: Neutron Scattering and Bioenergy
Jeremy Smith (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Multi-scale molecular simulations of macromolecular interactions in living systems
Margaret Cheung (University of Houston)
Field of Science: Molecular Biosciences
Molecular Dynamics Simulations of Semistructured Biomolecules
Michael Colvin (University of California, Merced)
Field of Science: Molecular Biosciences
Next-Generation Force Fields from Accurate Quantum Chemical Calculations
Karl F. Freed (University of Chicago)
Field of Science: Chemistry
Macromolecular and Cell Simulations
Thomas Kepler (Duke University)
Field of Science: Molecular Biosciences
Molecular Modeling of Complex Biological Systems
Clare McCabe (Vanderbilt University)
Field of Science: Molecular Biosciences
Reciprocal BLAST Analysis of the UniProt Knowledgebase
Cathy Wu (Georgetown University)
Field of Science: Molecular Biosciences
Benchmarking and Testing of AMBER and CHARMM
Ross Walker (University of California-San Diego)
Field of Science: Molecular Biosciences
Computational analysis of Protein Complex Binding
Lydia Kavraki (Rice University)
Field of Science: Molecular Biosciences
Membrane proteins: from assembly to action
Stephen White (University of California-Irvine)
Field of Science: Molecular Biosciences
Coarse-Grain Models of Virus Assembly
Stephen Harvey (Georgia Institute of Technology)
Field of Science: Molecular Biosciences
Simulation Studies of clinically observed JAK2 mutations
Tai-Sung Lee (Rutgers, the State University of New Jersey)
Field of Science: Molecular Biosciences
Development of PTMap2.0 for genome-wide protein posttranslational modification analysis
Yingming Zhao (University of Chicago)
Field of Science: Molecular Biosciences
Dynamics of interactions between biological membranes and carbonaceous nanoparticles
Angela Violi (University of Michigan)
Field of Science: Chemistry
Large Scale Molecular Dynamics Simulations of the Chemomechanical Coupling in AAA Protein p97
Jeffery Wereszczynski (University of California-San Diego)
Field of Science: Molecular Biosciences
Computational Biophysics: Advanced Techniques for Protein Folding
Jim Pfaendtner (University of Washington)
Field of Science: Molecular Biosciences
Simulations of Cellulose I with multiple force fields
James Matthews (National Renewable Energy Laboratory)
Field of Science: Molecular Biosciences
Villous motility as a critical mechanism for efficient nutrient absorption in the small intestine
James Brasseur (Pennsylvania State University)
Field of Science: Molecular Biosciences
Incorporation of pH Effects In Biochemical Simulation
Jason Swails (University of Florida)
Field of Science: Molecular Biosciences
Nonlinear Optical Interaction of Nanoparticles
Scott Fraser (California Institute of Technology)
Field of Science: Molecular Biosciences
Free Energy Calculations of Protein Kinase Inhibitor Interactions
Adrian Elcock (University of Iowa)
Field of Science: Molecular Biosciences
Potential Energy Surfaces of Various Accuracy for Molecular Simulations
Teresa Head-Gordon (University of California-Berkeley)
Field of Science: Chemistry
Determining Functional Domains from Genomic Data Using Supercomputers
Igor Jouline (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Application of PTMap2 for protein posttranslational modification analysis
Yingming Zhao (University of Chicago)
Field of Science: Molecular Biosciences
Introduction to parallel numerical methods
Benson Muite (University of Michigan)
Field of Science: Mathematical Sciences
Design of high affinity monomeric streptavidin by MD simulation
Sheldon Park (SUNY at Buffalo)
Field of Science: Molecular Biosciences
Molecular Dynamics Simulations of the 20S Proteasome
Sue Travis (University of Iowa)
Field of Science: Molecular Biosciences
Atomistic simulations of carbon nanotubes entering cells
Robert Hurt (Brown University)
Field of Science: Molecular Biosciences
Effects of entrance geometry on red blood cell motion through pores: Parallel simulations
Igor Pivkin (Massachusetts Institute of Technology)
Field of Science: Molecular Biosciences
Domain-Ligand Binding Free Energy Calculations on PDC109, a two-Domain Protein
Hyung Joon Kim (Carnegie Mellon University)
Field of Science: Molecular Biosciences
Molecular Dynamics Simulations of a G-protein-coupled receptor (GPCR) Signalosome: the Complex of Opsin with the Heterotrimeric G-Protein Transducin
Thomas Huber (Rockefeller University)
Field of Science: Molecular Biosciences
Molecular dynamics simulations of A-beta protein aggregation
Jie (Jessy) Li (University of California-Davis)
Field of Science: Molecular Biosciences
Effects of entrance geometry on red blood cell motion through pores: Parallel simulations
Igor Pivkin (Massachusetts Institute of Technology)
Field of Science: Molecular Biosciences
Villous Motility as a Critical Mechanism for Efficient Nutrient Absorption in the Small Intestine
James Brasseur (Pennsylvania State University)
Field of Science: Molecular Biosciences
Network Troubleshooting
Nichole Boscia (NASA)
Field of Science: Networking and Communications Research
Molecular Simulations of Transmembrane and Membrane-associated Proteins
Jeffery Klauda (University of Maryland, College Park)
Field of Science: Molecular Biosciences
Atomistic Molecular Dynamics Studies of DNA Damage Recognition
Arthi Jayaraman (University of Colorado)
Field of Science: Molecular Biosciences
Structure Prediction of G Protein-Coupled Receptors
Ravinder Abrol (California Institute of Technology)
Field of Science: Molecular Biosciences
SAM Radical Proteins
Catherine Drennan (Massachusetts Institute of Technology)
Field of Science: Molecular Biosciences
Brownian dynamics with hydrodynamic interactions
Tamara Frembgen-Kesner (University of Iowa)
Field of Science: Molecular Biosciences
Folding studies of the Alzheimer amyloid beta-protein in confined environments using all-atom molecular dynamic simulations
Srinivasa Rao Jampani (Drexel University)
Field of Science: Molecular Biosciences
Molecular Dynamics Simulation Studies of Recognition and Repair of DNA damage
Arthi Jayaraman (University of Colorado)
Field of Science: Molecular Biosciences
Fluorescent Proteins/Science Leaders
Marc Zimmer (Connecticut College)
Field of Science: Molecular Biosciences
Campus Champion for West Virginia State University
Joseph Domaschko (West Virginia State University)
Field of Science: Information, Robotics, and Intelligent Systems
Computing the Thermodynamic Forces of Decomposing a Cellulose Microfibril by Cellulase
Jhih-Wei Chu (University of California-Berkeley)
Field of Science: Molecular Biosciences
Computing the Thermodynamic Forces of Decomposing a Cellulose Microfibril
Jhih-Wei Chu (University of California-Berkeley)
Field of Science: Molecular Biosciences
The sodium/galactose symporter crystal structure is a dynamic, not so occluded state.
Ivet Bahar (University of Pittsburgh)
Field of Science: Molecular Biosciences
Multiscale Models of Cellular Mechanotransduction
Mohammad Mofrad (University of California-Berkeley)
Field of Science: Molecular Biosciences
Comparison of molecular dynamics and 2D-IR spectroscopy for HIV-RT ligand binding.
Michael Shirts (University of Virginia)
Field of Science: Molecular Biosciences
Simulations of Nuclear Pore Transport
Ajay Gopinathan (University of California, Merced)
Field of Science: Molecular Biosciences
Computational studies of G-protein coupled receptor (GPCR)-ligand interactions
Ting Wang (University of California-Davis)
Field of Science: Molecular Biosciences
Docking Peptides to ClpB by MD Simulation: An Investigation of the Molecular Machine that Targets Aggregated Proteins
Elizabeth Ploetz (Kansas State University)
Field of Science: Molecular Biosciences
Flexibility vs. preorganization: Atomistic simulations of partner recognition by natively unfolded proteins
Lillian Chong (University of Pittsburgh)
Field of Science: Molecular Biosciences
Modeling of Fluid Flow and Bacterial Transport in Micromodels
Markus Hilpert (Johns Hopkins University)
Field of Science: Earth Sciences
Towards gaining insights into the mechanism of transport by the carnitine/γ-butyro-betaine antiporter and comparison with Na+-coupled symporters
Ivet Bahar (University of Pittsburgh)
Field of Science: Molecular Biosciences
Molecular-Scale Understanding and Design of Zwitterionic Materials
Shaoyi Jiang (University of Washington)
Field of Science: Molecular Biosciences
All-atom (AA) and Coarse Grain (CG) Molecular Dynamics Simulations of Membrane Proteins in Complex Biological Systems
Preston Benoni Moore (University of the Sciences in Philadelphia)
Field of Science: Molecular Biosciences
Design and optimization of hemostatic peptides
Thomas Cheatham (University of Utah)
Field of Science: Molecular Biosciences
Molecular Dynamics of Kinases and Membrane Transporters
Robert Jernigan (Iowa State University)
Field of Science: Molecular Biosciences
Gamow Shell Model for light nuclei
Nicolas Michel (University of Tennessee)
Field of Science: Physics
Computational Biophysics: Advanced Techniques for Protein Folding
Jim Pfaendtner (University of Washington)
Field of Science: Molecular Biosciences
Productivity from Open, INtegrated Tools (POINT)
Raghurama Reddy (Pittsburgh Supercomputing Center)
Field of Science: Microelectronic Information Processing Systems
Atomistic simulations for plastic deformation in nano-twinned copper
Huajian Gao (Brown University)
Field of Science: Mechanical and Structural Systems
Gravitational and Electromagnetic Dynamics around Black Holes
Manuel Tiglio (University of Maryland, College Park)
Field of Science: Physics
Hybrid Particle Element Method for Impact Dynamics Simulation
Eric Fahrenthold (University of Texas at Austin)
Field of Science: Mechanical and Structural Systems
Elastic-Viscoelastic properties of Soft Biological Tissues from Magnetic Resonance Elastography: Inverse Finite Element Simulations
Ravi Namani (Washington University in St. Louis)
Field of Science: Mechanical and Structural Systems
Thermal conductivity of carbon nanotubes with defects and junctions
Haibin Chen (Carnegie Mellon University)
Field of Science: Mechanical and Structural Systems
Object Based Caching for MPI-IO
Phillip Dickens (University of Maine)
Field of Science: Networking and Communications Research
Campus Champion for Albert Einstein College of Medicine
Joseph Hargitai (Albert Einstein College of Medicine)
Field of Science: Molecular Biosciences
Kinetic Dissipation of Astrophysical Plasma Turbulence
Gregory Howes (University of Iowa)
Field of Science: Physics
Eddy diffusivities in the Southern Ocean from an eddying model
Alexa Griesel (Scripps Institution of Oceanography)
Field of Science: Ocean Sciences
Horizontal Convection in High Rayleigh Number
Mehmet Ilicak (Princeton University)
Field of Science: Ocean Sciences
Blood Flow and Pressure Wave Propagation in a Whole-Body Scale Deformable Cardiovascular Model
Carlos Figueroa (Kings College London)
Field of Science: Mechanical and Structural Systems
Large Eddy Simulations of Gas Turbine Heat Transfer and Aerodynamics
Andrew Duggleby (Texas A&M University)
Field of Science: Chemical, Thermal Systems
Physics of Charm and Bottom Baryons
William Detmold (College of William and Mary)
Field of Science: Physics
Atomic and Molecular Collision Dynamics using Petascale Computing Systems
Francis Robicheaux (Auburn University)
Field of Science: Physics
Atomistic simulations of mechanical and physical properties of nano-twinned metals and semiconductors
Huajian Gao (Brown University)
Field of Science: Mechanical and Structural Systems
Campus Champion Program for Monmouth College
Christopher Fasano (Monmouth College)
Field of Science: Physics
ultracold molecular photoassociation dynamics of lithium-yetterbium atoms; and three-body recombination in magnetized cold plasmas
Hossein Sadeghpour (Smithsonian, Astrophys Obs)
Field of Science: Physics
Multiscale Modeling of the Coupling between Langmuir Turbulence and Submesoscale Variability in the Oceanic Mixed Layer
Baylor Fox-Kemper (University of Colorado)
Field of Science: Ocean Sciences
Scalability using OpenMP
Sunita Chandrasekaran (University of Houston)
Field of Science: Computer and Computation Research
landscape configuration on forest insect outbreak dynamics
Eric Carr (NIMBioS)
Field of Science: Environmental Biology
Developing the Universal Nuclear Energy Density Functional
Witold Nazarewicz (University of Tennessee, Knoxville)
Field of Science: Physics
Ultrashort Intense Laser-Matter Interactions
Suxing Hu (University of Rochester)
Field of Science: Physics
Deformed QRPA with Energy-Density Functionals
Jonathan Engel (University of North Carolina, Chapel Hill)
Field of Science: Physics
Campus Champion for University of Kentucky
Alan Dozier (University of Kentucky)
Field of Science: Physics
Probing Attosecond Electron-Correlation Dynamics in Atoms
Suxing Hu (University of Rochester)
Field of Science: Physics
Campus Champion for Indiana University
Scott Teige (Indiana University)
Field of Science: Physics
Computer Aided Analysis of Tunneling Field-Effect Transistors
Mathieu Luisier (ETH Zurich)
Field of Science: Physics
TG-PHY100019 Anharmonic Vibrational Analysis beyond CCSD(T)
Kalju Kahn (University of California-Santa Barbara)
Field of Science: Physics
Simulations of ultracold few-body and many-body atomic and molecular systems and plasmas: a new TRAC proposal
Hossein Sadeghpour (Smithsonian, Astrophys Obs)
Field of Science: Physics
The Excited Hadron Spectrum Using Single- and Multi-Hadron Operators
Colin Morningstar (Carnegie Mellon University)
Field of Science: Physics
Computational Relativistic Astrophysics Models of Stellar Collapse and Binary Black Hole Coalescence
Christian Ott (California Institute of Technology)
Field of Science: Physics
Compact Object Binary Simulations in Full General Relativity : Exploring the Short GRB Central Engine
Frans Pretorius (Princeton University)
Field of Science: Physics
Ab Initio Molecular Dynamics Simulation and DFT Calculations of Atomic Structures Phase Transformations And Oxidation Of HighEntropy Alloys
Peter Liaw (University of Tennessee, Knoxville)
Field of Science: Materials Research
Phonon Localization in Nanocomposite Materials
Bruce White (SUNY at Binghamton)
Field of Science: Physics
Parallel iterative solvers applied to dynamical mean-field theory and numerical-linked clusters
Pierre Carrier (University of Minnesota)
Field of Science: Physics
Simulations of Eccentric Black Hole-Neutron Star Mergers
Branson Stephens (Princeton University)
Field of Science: Physics
Numerical Relativity - Analytical Relativity Project Preparation
Bernard Kelly (NASA Goddard Space Flight Center)
Field of Science: Physics
Binary Black Hole Simulations: Creation of a public gravitational wave repository at Florida Atlantic University
Pedro Marronetti (Florida Atlantic University)
Field of Science: Physics
Magnetic Reconnection in Laser-Produced Plasmas
William Fox (University of New Hampshire)
Field of Science: Physics
I/O Benchmarking for Blue Water
Marianne Winslett (University of Illinois at Urbana-Champaign)
Field of Science: Advanced Scientific Computing
High-Performance Scientific Computing
Elizabeth R. Jessup (University of Colorado)
Field of Science: Educational
Spectral Slope of MHD Turbulence
Alex Lazarian (University of Wisconsin-Madison)
Field of Science: Astronomical Sciences
Campus Champions program for University of Pittsburgh
Server Yilmaz (University of Pittsburgh)
Field of Science: Educational
J-Matrix Calculation of Two-Electron Eigenstates of the He Atom
Jean Marcel Ngoko Djiokap (University of Nebraska at Lincoln)
Field of Science: Physics
Campus Champion for U. S. Naval Academy
Don Garner (US Naval Academy)
Field of Science: Educational
Campus Champions program for Case Western Reserve University
Roger Bielefeld (Case Western Reserve University)
Field of Science: Training
Campus Champions program for Tulane University
Hideki Fujioka (Tulane University)
Field of Science: Training
Campus Champion for South Dakota State University
Shawn Duan (South Dakota State University)
Field of Science: Training
Campus Champions program for University of Richmond
Rene Kanters (University of Richmond)
Field of Science: Training
Campus Champion
Albert Everett (University of Arkansas, Little Rock)
Field of Science: Training
Campus Champion for Columbia University
Rob Lane (Columbia University in the City of New York)
Field of Science: Training
Campus Champion for RIT
Gurcharan Khanna (Rochester Institute of Technology)
Field of Science: Training
Campus Champion for Howard University
Marcus Alfred (Howard University)
Field of Science: Training
Campus Champion for Merrimack College
David Toth (Merrimack College)
Field of Science: Training
Performance tools for HPC Systems
John Mellor-Crummey (Rice University)
Field of Science: Computer and Computation Research
Campus Champion Startup Request
Joshua Alexander (University of Oklahoma)
Field of Science: Training
Campus Champion for WV Higher Education Policy Commission
Jonathan Caldwell (West Virginia Higher Education Policy Commission)
Field of Science: Training
Campus Champions for Kentcuky State University
Chi Shen (Kentucky State University)
Field of Science: Training
Campus Champion for New York University
Shenglong Wang (New York University)
Field of Science: Training
Simulations of Viral Capsid Assembly and Adenylate Kinase
Michael Hagan (Brandeis University)
Field of Science: Molecular Biosciences
Regulating Star Formation by Molecular Hydrogen in Cosmological and Single Galaxy SPH Simulations
Robert Thompson (University of Nevada-Las Vegas)
Field of Science: Astronomical Sciences
Calibration System Development
Fanyou Kong (Atmospheric Technology Services Co)
Field of Science: Atmospheric Sciences
Climate Modeling
Peter Gent (National Center for Atmospheric Research)
Field of Science: Atmospheric Sciences
Modeling Studies of Nano and Biomolecular Systems
Adrian Roitberg (University of Florida)
Field of Science: Molecular Biosciences
MILC code development
Steven Gottlieb (Indiana University)
Field of Science: Physics
Performance Modeling and Characterization (PMaC)
Laura Carrington (University of California-San Diego)
Field of Science: Advanced Scientific Computing
Innovative Computing Research (algorithms, parallel and HPC Computing)
Jack Dongarra (University of Tennessee, Knoxville)
Field of Science: Advanced Scientific Computing
Large-scale ecological and phenotypic diversification models
Sergey Gavrilets (University of Tennessee, Knoxville)
Field of Science: Environmental Biology
NIMBioS
Michael Vose (University of Tennessee, Knoxville)
Field of Science: Cross-Disciplinary Activities
Biophysical Modeling and Simulation
Gregory Voth (University of Chicago)
Field of Science: Molecular Biosciences
Computational studies on lignin model compounds
Ariana Beste (ORNL)
Field of Science: Chemistry
Molecular Biophysics Simulations: Neutron Scattering and Bioenergy
Jeremy Smith (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Analysis
Mathieu Luisier (ETH Zurich)
Field of Science: Design and Manufacturing Systems
Turbulent Solar and Stellar Convection and Magnetic Dynamos
Juri Toomre (University of Colorado)
Field of Science: Astronomical Sciences
DNA transport and sequencing through a quadrupole gate
Predrag Krstic (Oak Ridge National Laboratory)
Field of Science: Molecular Biosciences
Aqua: Simulating an Adiabatic Quantum Algorithm
Jeffrey Vetter (Oak Ridge National Laboratory)
Field of Science: Advanced Scientific Computing
High resolution simulations of tornadic vortices
Amy McGovern (University of Oklahoma)
Field of Science: Atmospheric Sciences
Plasma Physics Simulations using VPIC
Ben Bergen (Los Alamos National Laboratory)
Field of Science: Physics
Molecular Dynamics Studies in Describing The Molecular Basis of Infertility and Thyroid Conditions
Angelo Rossi (University of Medicine and Dentistry of New Jersey)
Field of Science: Molecular Biosciences
Protein Structure Modelling
Yaohang Li (North Carolina A&T State University)
Field of Science: Molecular Biosciences
Cray XT Cross-System Comparisons
Kurt Carlson (University of Alaska (UAF))
Field of Science: Computer and Computation Research
An International, Dedicated High-End Computing Project to Revolutionize Climate Modeling
Cristiana Stan (Center for Ocean-Land-Atmosphere Studies)
Field of Science: Atmospheric Sciences
federal interagency benchmarking project
Robert Maier (USACE ERDC)
Field of Science: Computer and Computation Research
Genome Analysis
Zheng Liu (University of Texas at Austin)
Field of Science: Biological and Critical Systems
US Navy DSRC
Lee Whatley (DoD HPCMP)
Field of Science: Training
Quantum Monte Carlo Simulations
Kenneth Jordan (University of Pittsburgh)
Field of Science: Chemistry
Student Cluster Competition Preparation
Ricky Kendall (ORNL)
Field of Science: Chemistry
ADIOS
Scott Klasky (ORNL)
Field of Science: Advanced Scientific Computing
Testing of STARCCM+ CFD Software
Emilian Popov (ORNL)
Field of Science: Advanced Scientific Computing
CAPS Spring Run
Ming Xue (University of Oklahoma)
Field of Science: Atmospheric Sciences
Description of Weak Interactions by Density Functional Theory
Alvaro Vazquez-Mayagoitia (University of Tennessee, Knoxville)
Field of Science: Chemistry
Atomistic Modeling of Hydrogen Storage in Nanostructured Carbons
James Morris (Oak Ridge National Laboratory)
Field of Science: Materials Research
Prediction of Themodynamic and Kinetic Properties of Lignin Model Compounds
Jarod Younker (Oak Ridge Institute for Science and Education)
Field of Science: Chemistry
Benchmarking and Profiling of the GPU accelerated version of AMBER
Ross Walker (University of California-San Diego)
Field of Science: Molecular Biosciences
Developing and Testing Systems Biology Toolbox
Bhanu Rekepalli (Oak Ridge National Laboratory)
Field of Science: Advanced Scientific Computing
Toward Petascale Cosmological Simulations using the Adaptive Refinement Tree (ART) Code
Zhiling Lan (Illinois Institute of Technology)
Field of Science: Astronomical Sciences
Quantum simulations of material properties
James Chelikowsky (University of Texas at Austin)
Field of Science: Materials Research
Computational Genomics
Igor Jouline (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Multiscale Materials Modeling
David Keffer (University of Tennessee, Knoxville)
Field of Science: Materials Research
Porting Tenasi benchmarking code
Lafayette Taylor (University of Tennessee, Chattanooga)
Field of Science: Advanced Scientific Computing
Molecular Dynamics simulations
Jeremy Smith (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Gordon Bell project - dedicated run
Thomas Schulthess (ORNL)
Field of Science: Computer and Computation Research
Exploration of downscaling global climate and chemistry models
Joshua Fu (University of Tennessee, Knoxville)
Field of Science: Atmospheric Sciences
Benchmarking of PICMSS for CFD Simulation
Kwai L. Wong (University of Tennessee, Knoxville)
Field of Science: Mechanical and Structural Systems
Genetic Network Inference from Massive Genomic Datasets
Yan Cui (University of Tennessee, Memphis)
Field of Science: Molecular Biosciences
First-Principles Calculation on Impurity Diffusivities in Ferritic Iron
Peter Liaw (University of Tennessee, Knoxville)
Field of Science: Materials Research
Nuclear Structure Theory
Thomas Papenbrock (University of Tennessee, Knoxville)
Field of Science: Materials Research
Artificial DNAs
Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)
Field of Science: Cross-Disciplinary Activities
Nuclear Structure Calculations
Junchen Pei (University of Tennessee, Knoxville)
Field of Science: Physics
Fission Studies of Superheavy Nuclei
Javid Sheikh (University of Tennessee, Knoxville)
Field of Science: Physics
Energy Density Functional With Density Dependent Coupling Constants
Mario Stoitsov (University of Tennessee, Knoxville)
Field of Science: Physics
Multiscale modeling of dynamics of complex fluids
Bamin Khomami (University of Tennessee, Knoxville)
Field of Science: Materials Research
Scalable Computational Methods for the Analysis of High-Throughput Biological Data
Michael Langston (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Coarse-grained Monte Carlo simulations
Petr Plechac (University of Tennessee, Knoxville)
Field of Science: Advanced Scientific Computing
Multi-scale Modeling in Proton Exchange Membrane
Stephen Paddison (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Coupled-Cluster theory for nuclei
Gaute Hagen (ORNL)
Field of Science: Physics
Newton program
Gerald Ragghianti (University of Tennessee, Knoxville)
Field of Science: Advanced Scientific Computing
Investigation of Performance Variability on Cray XT5
Patrick Worley (ORNL)
Field of Science: Computer and Computation Research
Calculation of spontaneous fission process
Andrzej Staszczak (University of Tennessee, Knoxville)
Field of Science: Physics
Mass parameters for fissionig nuclei
Andrzej Baran (University of Tennessee, Knoxville)
Field of Science: Physics
Molecular Dynamics Simulation of Electroporation
Xiaopeng Zhao (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Structure-Function Studies on Nuclear Hormone Receptors
Elias Fernandez (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Nuclear Structure Calculations for weakly bound nuclei
George Papadimitriou (University of Tennessee, Knoxville)
Field of Science: Physics
Gain XT5 Experience
Clare McCabe (Vanderbilt University)
Field of Science: ----
Optimization of the nuclear energy density functional
Erno Kortelainen (University of Tennessee, Knoxville)
Field of Science: Physics
Freeprop
James Sternberg (University of Tennessee, Knoxville)
Field of Science: Physics
Investigations of Colossal Magnetoresistive and Multiferroic Manganites Using Realistic Two-Orbital Models with Disorder
Cengiz Sen (University of Tennessee, Knoxville)
Field of Science: Materials Research
Constraint of density functional theory from coupled cluster calculations
Jason Holt (University of Tennessee, Knoxville)
Field of Science: Physics
Nautilus Group
Sean Ahern (University of Tennessee, Oak Ridge)
Field of Science: Cross-Disciplinary Activities
Development of a Multiphysics Thermal analysis code on GPU cluster
Kwai L. Wong (University of Tennessee, Knoxville)
Field of Science: Chemical, Thermal Systems
Nimbios
Lou Gross (University of Tennessee, Knoxville)
Field of Science: Environmental Biology
Species discovery, and large taxon phylogenies
Rodger Gwiazdowski (University of Massachusetts, Amherst)
Field of Science: Environmental Biology
UT Course CS594
Jack Dongarra (University of Tennessee, Knoxville)
Field of Science: Cross-Disciplinary Activities
UT Course (Data Structures and Algorithm Analysis)
David Banks (University of Tennessee, Knoxville)
Field of Science: Computer and Computation Research
UTK Molecular Biophysics Class BCMB 420/560/610
Roland Schulz (Oak Ridge National Laboratory)
Field of Science: Molecular Biosciences
ICMR summer school
Francois Gygi (University of California-Davis)
Field of Science: Molecular Biosciences
Verification of the Goldbach Conjecture
Tomas Silva (University of Aveiro)
Field of Science: Mathematical Sciences
CS 594 Spring 2010
Heike Jagode (University of Tennessee, Knoxville)
Field of Science: Computer and Computation Research
Exploratory Research and Education with Kraken
Gregory Peterson (University of Tennessee, Knoxville)
Field of Science: Cross-Disciplinary Activities
Simularions of the plasma-material interface
Predrag Krstic (Oak Ridge National Laboratory)
Field of Science: Physics
Calculations of Atomic level stresses in disordered materilas
Madhusudan Ojha (University of Tennessee, Knoxville)
Field of Science: Physics
Computational Science Modules & Education
Angela Shiflet (Wofford College)
Field of Science: Computer and Computation Research
Prediction of weak magnetic exchange constant in Mn12(mda) complex using DFT+U.
Shruba Gangopadhyay (University of Central Florida)
Field of Science: Chemistry
Examining the effect of self guided langevin dynamics on the thermodynamic stability and kinetics of peptide folding
Amber Carr (SUNY at Stony Brook)
Field of Science: Chemistry
I/o optimizations
Scott Klasky (ORNL)
Field of Science: Advanced Scientific Computing
Quantum Effects in Vibrational Energy Relaxation of Cyanide Ion in Water
Eitan Geva (University of Michigan)
Field of Science: Chemistry
NAMD research
James Phillips (University of Illinois at Urbana-Champaign)
Field of Science: Computer and Computation Research
GPU computing with staggered quarks
Steven Gottlieb (Indiana University)
Field of Science: Physics
NAMD research
James Phillips (University of Illinois at Urbana-Champaign)
Field of Science: Computer and Computation Research
Rheology of high molecular weight polymers with non-linear architecture
Gopinath Subramanian (Los Alamos National Laboratory)
Field of Science: Materials Research
Porting Elliptical Solver to GPU
John Helly ()
Field of Science: Atmospheric Sciences
EPSCoR Desktop to TeraGrid EcoSystem
James von Oehsen (Clemson University)
Field of Science: Environmental Biology
Molecular Dynamics Simulation of Plasma Facing Surfaces in ITER Fusion Device
Ahmed Hassanein (Purdue University)
Field of Science: Physics
Development of Software Components to Support Parallel Adaptive Multiscale Analysis of Biotissue Engineering
Fabien Delalondre (Rensselaer Polytechnic Institute)
Field of Science: Mathematical Sciences
Development of an eddy-permitting ocean general circulation model
Robert L. Jacob Jr. (Argonne National Laboratory)
Field of Science: Ocean Sciences
High Performance Computing: tools and algorithms.
Leopold Grinberg (Brown University)
Field of Science: Mathematical Sciences
Space-time Loadings on Wind Turbine Blades driven by Atmospheric Boundary Layer Turbulence: Coupling LES and DES
Michael Kinzel (Pennsylvania State University)
Field of Science: Atmospheric Sciences
Modeling thunderstorms and tornados
Robert Wilhelmson (University of Illinois at Urbana-Champaign)
Field of Science: Atmospheric Sciences
Simulations of Magnetized Astrophysical Plasmas with Anisotropic Conduction, Viscosity, and Energetic Particles
Ian Parrish (University of California-Berkeley)
Field of Science: Astronomical Sciences
Isospin invariant density functional model for atomic nuclei
Javid Sheikh (University of Tennessee, Knoxville)
Field of Science: Physics
Ab initio Spectroscopic Imaging of Complex Microstructural Materials
Paul Rulis (University of Missouri, Kansas City)
Field of Science: Materials Research
Unified URANS LES Simulation of Wind Farm Flow Fields and Wind Turbine Loads
Stefan Heinz (University of Wyoming)
Field of Science: Mathematical Sciences
Computational investigation of plasma detachment from a magnetic nozzle
Daniel Araya (Texas A&M University)
Field of Science: Chemical, Thermal Systems
HMPP
Yann MEVEL (CAPS entreprise)
Field of Science: Computer and Computation Research
Campus Champion for UNC Chapel Hill
Ruth Marinshaw (University of North Carolina, Chapel Hill)
Field of Science: Training
Molecular simulations of supercritical fluids
Hai-Lung Tsai (Missouri University of Science and Technology)
Field of Science: Chemical, Thermal Systems
Alternative Dark Matter Cosmological Simulations
Manoj Kaplinghat (University of California-Irvine)
Field of Science: Physics
The Formation of Active Regions on the Sun
Matthias Rempel (National Center for Atmospheric Research)
Field of Science: Astronomical Sciences
Air Pollutant and Climate Modeling Project
John Drake (University of Tennessee, Knoxville)
Field of Science: Atmospheric Sciences
NUMA effects on numerical dense linear algebra library
Bilel Hadri (University of Tennessee, Oak Ridge)
Field of Science: Mathematical Sciences
ACS Fellowship Investigating Carbon Nanotubes
Christopher Von Bargen (University of Pennsylvania)
Field of Science: Chemistry
Campus Champions program for University of Illinois at Urbana-Champaign
Michael Grady (University of Illinois at Urbana-Champaign)
Field of Science: Training
Climate Change Impacts on Malaria
Hugh Ellis (Johns Hopkins University)
Field of Science: Atmospheric Sciences
Campus Champion for University of Notre Dame
Tim Stitt (University of Notre Dame)
Field of Science: Training
Accurate quantum mechanical studies of electron density distribution in molecules
Anatoliy Volkov (Middle Tennessee State University)
Field of Science: Chemistry
Campus Champion for Michigan State University
Dirk Colbry (Michigan State University)
Field of Science: Computer and Computation Research
PhyR and Related Protein Dynamics
Sean Crosson (University of Chicago)
Field of Science: Molecular Biosciences
Computational methods and studies of protein exibility
Jesus A. Izaguirre (University of Notre Dame)
Field of Science: Molecular Biosciences
Adsorption Characteristics of Organic Molecules on Metal Surfaces
Abdelkader Kara (University of Central Florida)
Field of Science: Materials Research
Energy variational analysis of ions in water and channels: Field theory
YunKyong Hyon (University of Nevada-Reno)
Field of Science: Mathematical Sciences
Simulation of Deep Water Offshore Wind Turbines Including Motions in Waves
Tao Xing (University of Idaho)
Field of Science: Computer and Computation Research
Numerical Simulation of Bubble Dynamics Near Compliant Structures
Timothy Colonius (California Institute of Technology)
Field of Science: Chemical, Thermal Systems
High-Performance Computing Course Resources
Selim Kalayci (East Tennessee State University)
Field of Science: Training
Energy dissipation in Nanotubes and Nanowire resonators
Jayathi Murthy (Purdue University)
Field of Science: Chemical, Thermal Systems
High Efficiency Organic Photovoltaics Using Singlet Fission Carrier Multiplication
Charles B. Musgrave (University of Colorado)
Field of Science: Chemistry
Exploring the Chemical Landscape for Base Excision DNA Repair
Ivaylo Ivanov (Georgia State University)
Field of Science: Molecular Biosciences
Develop and test models of the structure and the allosteric switching mechanism of RG13 (MBP-BLA) using computational modeling based on NMR constraints
Myunggi Yi (Johns Hopkins University)
Field of Science: Molecular Biosciences
Structural and Functional Characterization of Glu-Plasminogen and Lys-Plasminogen
Hyung Joon Kim (Carnegie Mellon University)
Field of Science: Molecular Biosciences
A Study of PTPB Dynamics
Tom Morrell (Princeton University)
Field of Science: Chemistry
Improving alchemical methods for predicting protein-ligand binding
David Mobley (University of New Orleans)
Field of Science: Chemistry
Investigating morphology evolution in thin-film organic solar cells: Exploring the phase-space of processing conditions
Baskar Ganapathysubramanian (Iowa State University)
Field of Science: Chemical, Thermal Systems
Molecular Dynamics and Docking study about Bio-molecules
Zhiqiang Yan (SUNY at Stony Brook)
Field of Science: Molecular Biosciences
Structural dynamics of a heptahelical receptorG-protein signalosome complex
Thomas Huber (Rockefeller University)
Field of Science: Molecular Biosciences
Flexible Protein-Small Ligand Docking Using an Ensemble of Conformations generated with Molecular Dynamics Simulations Guided by Motions from Coarse Grain Elastic Network- An Application to Human beta 2 Adrenergic Receptor
Basak Isin (University of Pittsburgh)
Field of Science: Molecular Biosciences
3D turbulent magnetic reconnection
Haihong Che (NASA Goddard Space Flight Center)
Field of Science: Physics
Protein Structure Prediction and De Novo Protein Design in the Presence of Post Translational Modifications (PTMs)
George Khoury (Princeton University)
Field of Science: Molecular Biosciences
Campus Champion for Rutgers University
Robert Gerdes (Rutgers, the State University of New Jersey)
Field of Science: Training
Scaling Parallel Programing Frameworks to Large Systems
Andrew Lenharth (University of Texas at Austin)
Field of Science: Advanced Scientific Computing
Education use
Walton Yantis (Texas State Technical College, Waco)
Field of Science: Information, Robotics, and Intelligent Systems
Multi-Scale Modeling of Transport Phenomena in Inkjet Deposition of Functional Materials for Printable Electronics
Ying Sun (Drexel University)
Field of Science: Chemical, Thermal Systems
Campus Champion for University of Delaware
Dean Nairn (University of Delaware)
Field of Science: Training
Modeling immune cell cytoskeletal regulation
Manish Butte (Stanford University)
Field of Science: Molecular Biosciences
Parallel Space Time Algorithms
Benjamin Ong (Michigan State University)
Field of Science: Mathematical Sciences
National EPSCoR CI Student Engagement
James von Oehsen (Clemson University)
Field of Science: Computer and Computation Research
Surfactant Micelle Fusion
Ronald G. Larson (University of Michigan)
Field of Science: Chemistry
High energy grazing collisions of black holes
Ulrich Sperhake (California Institute of Technology)
Field of Science: Physics
Investigation of the Effect of Interaction of Model Polypeptides with Titania On Their Conformation Using Molecular Dynamics Simulation
Xiaoyu Wu (Purdue University)
Field of Science: Molecular Biosciences
Numerical Simulation of Fluid Flow and Heat Transfer in Solar Chimneys
Ehsan Shams (University of Arizona)
Field of Science: Chemical, Thermal Systems
Simulations of Protein Aggregation
Joan-Emma Shea (University of California-Santa Barbara)
Field of Science: Molecular Biosciences
3D Core-collapse Supernova Simulations
Adam Burrows (Princeton University)
Field of Science: Astronomical Sciences
Allocation Request for CS478 (High Performance Computing)
April Kontostathis (Ursinus College)
Field of Science: Advanced Scientific Computing
Sequencing DNA using a nanopore
Aleksei Aksimentiev (University of Illinois at Urbana-Champaign)
Field of Science: Molecular Biosciences
Microstructure-Level Simulations of Multiphase Materials
Katsuyo Thornton (University of Michigan)
Field of Science: Materials Research
A Study of Flow-Structure Interaction in Complex Biological Systems Using a Parallelized Immersed Boundary Solver
Rajat Mittal (Johns Hopkins University)
Field of Science: Chemical, Thermal Systems
Numerical methods for aeroacoustics and turbulence
Fang Hu (Old Dominion University)
Field of Science: Mathematical Sciences
Modeling Physical and Mechanical Systems: Simulation and Control
Suchuan Dong (Purdue University)
Field of Science: Chemical, Thermal Systems
Interaction of Time-Dependent Electromagnetic Fields with Atoms, Molecules and Bose Condenstates
Klaus Bartschat (Drake University)
Field of Science: Physics
Optimization of a physics-based united-residue force-field (UNRES) for protein folding simulation
Harold Scheraga (Cornell University)
Field of Science: Molecular Biosciences
Hadron Scattering from Lattice QCD
Konstantinos Orginos (College of William and Mary)
Field of Science: Physics
Scalable Simulations of Turbulent Combustion using the LES/FDF/ISAT Methodology
Stephen Pope (Cornell University)
Field of Science: Chemical, Thermal Systems
First-Principles Molecular Dynamics for Petascale Computers
Francois Gygi (University of California-Davis)
Field of Science: Advanced Scientific Computing
Development and Application of Advanced Molecular Dynamics Algorithms
Ross Walker (University of California-San Diego)
Field of Science: Molecular Biosciences
Eddy diffusivities in the Southern Ocean from an eddying model
Alexa Griesel (Scripps Institution of Oceanography)
Field of Science: Ocean Sciences
Modeling heliospheric phenomena with an MHD-kinetic code and observational boundary conditions
Nikolai Pogorelov (University of Alabama, Huntsville)
Field of Science: Atmospheric Sciences
First-Principles Investigation of Elastic Constants of Sn-based Intermetallics and Thermodynamics of Fe-based Multicomponent Alloys
Gautam Ghosh (Northwestern University)
Field of Science: Materials Research
Campus Champion University of Virginia startup allocation
Thomas Hall (University of Virginia)
Field of Science: Advanced Scientific Computing
Fusogenic activity of influenza hemagglutinin peptides
Peter Kasson (University of Virginia)
Field of Science: Molecular Biosciences
Astrophysical and Cosmological Structure Formation
Michael Norman (University of California-San Diego)
Field of Science: Astronomical Sciences
Computational Biophysics: Application of Advanced Algorithms to Protein Folding
Jim Pfaendtner (University of Washington)
Field of Science: Molecular Biosciences
Magnetohydrodynamics of the solar interior
Nicholas Brummell (University of California-Santa Cruz)
Field of Science: Astronomical Sciences
Numerical Investigation of the Turbulent Ekman Layer and Turbulent Couette Flow
Sedat Biringen (University of Colorado)
Field of Science: Chemical, Thermal Systems
Petascale Simulation of Turbulent Mixing and Combustion in Stars
Paul R. Woodward (University of Minnesota)
Field of Science: Astronomical Sciences
Direct numerical simulation of turbulence, particle-laden turbulence, and chemically reactive turbulent flow
Lance Collins (Cornell University)
Field of Science: Chemical, Thermal Systems
Large-scale atomistic simulations of materials
Ivan Oleynik (University of South Florida)
Field of Science: Materials Research
Adaptive Multiscale Simulations
Kenneth Jansen (University of Colorado)
Field of Science: Advanced Scientific Computing
Campus Champion for Cornell University
Susan Mehringer (Cornell University)
Field of Science: Training
NMSZ-Hazard: New Madrid Seismic Zone Ground Motion Simulations
Leonardo Ramirez-Guzman (US Geological Survey)
Field of Science: Earth Sciences
Kinetic Simulations of the Magnetosphere
Homayoun Karimabadi (University of California-San Diego)
Field of Science: Astronomical Sciences
Cosmic Re-Ionization
Robert Harkness (University of California-San Diego)
Field of Science: Astronomical Sciences
GPUaccelerated calculation of ligand binding affinities to biological macromolecules
Michael Shirts (University of Virginia)
Field of Science: Chemistry
The problem of bias in defining uncertainty in computationally enabled strategies for data-driven climate model development
Charles Jackson (University of Texas at Austin)
Field of Science: Atmospheric Sciences
Molecular-Scale Understanding and Design of Zwitterionic Materials
Shaoyi Jiang (University of Washington)
Field of Science: Chemistry
Oxygen Pathways in KillerRed
Marc Zimmer (Connecticut College)
Field of Science: Molecular Biosciences
Keeneland Testing and Documentation
Bruce Loftis (National Institute for Computational Sciences)
Field of Science: Cross-Disciplinary Activities
TeraGrid Simulation and Analysis for the NSF Network for Earthquake Engineering Simulation (NEES)
Thomas Hacker (Purdue University)
Field of Science: Biological and Critical Systems
Space-time Loadings on Wind Turbine Blades driven by Atmospheric Boundary Layer Turbulence: Coupling LES and DES
Michael Kinzel (Pennsylvania State University)
Field of Science: Atmospheric Sciences
Simulation of Iodine Dynamics in Solid Krypton
Jeffrey Cina (University of Oregon)
Field of Science: Chemistry
High Fidelity Simulations of Turbulent Reacting Flows in Complex Geometries
Edward Knudsen (Stanford University)
Field of Science: Chemical, Thermal Systems
Probing Three-body Coulomb Systems with Intense Attosecond XUV Pulses
Suxing Hu (University of Rochester)
Field of Science: Physics
Asymptotic scaling of heat transport in infinite Prandtl number fluids at very high resolution
Benson Muite (University of Michigan)
Field of Science: Chemical, Thermal Systems
Computational Studies of Peptide-RNA Complexes: Hands-On Learning in a Senior-Level Biochemistry Course
Maria Nagan (Truman State University)
Field of Science: Molecular Biosciences
Chemical Reactions and Transport in Condensed Phase Systems
J Karl Johnson (University of Pittsburgh)
Field of Science: Materials Research
"Campus Champion for University of Tennessee"
Christian Halloy (University of Tennessee, Oak Ridge)
Field of Science: Educational
Coupling climate and hydrological models: interoperability through web services
Cecelia DeLuca (University of Colorado)
Field of Science: Computer and Computation Research
Campus Champion at Rice University
Qiyou Jiang (Rice University)
Field of Science: Computer and Computation Research
Computational Diffusion MRI of Brain Tissue Microstructure and Structural Connectivity
Ali Tabesh (Medical University of South Carolina)
Field of Science: Advanced Scientific Computing
DNS Simulations of ReturntoIsotropy
James Perot (University of Massachusetts, Amherst)
Field of Science: Advanced Scientific Computing
MantaVis
Carson Brownlee (University of Utah)
Field of Science: Computer and Computation Research
BEAGLE
Daniel Ayres (University of Maryland, College Park)
Field of Science: Molecular Biosciences
Qbox
Francois Gygi (University of California-Davis)
Field of Science: Advanced Scientific Computing
Campus Champion for Ohio State University
Karen Tomko (Ohio State University)
Field of Science: Training
Climate change downscaling using the WRF over southeast South America
Lisa Goddard (Columbia University in the City of New York)
Field of Science: Atmospheric Sciences
Application Acceleration Center of Excellence
Robert Brook (University of Tennessee, Oak Ridge)
Field of Science: Computer and Computation Research
EMRI waveforms computation accelerated by GPUs
Gaurav Khanna (University of Massachusetts Dartmouth)
Field of Science: Physics
Climate Mitigation and Earth System Management from Local to Global Scale: Modeling Technology-Driven Futures
Yang Zhang (North Carolina State University at Raleigh)
Field of Science: Atmospheric Sciences
Multi-GPU Fundamentals
John Owens (University of California, Davis)
Field of Science: Computer and Computation Research
Renewal Request of the 2-yr Award AST070022
Kentaro Nagamine (University of Nevada-Las Vegas)
Field of Science: Astronomical Sciences
Improved multi-GPU support in LAMMPS
Axel Kohlmeyer (Temple University)
Field of Science: Materials Research
Cryptography with GPUs
Richard Boyd (Georgia Tech Research Institute)
Field of Science: Mathematical Sciences
yber-Enabled Design of Functional Nanomaterials
Christopher Iacovella (Vanderbilt University)
Field of Science: Computer and Computation Research
HyperFlow
Claudio Silva (Polytechnic Institute of NYU)
Field of Science: Computer and Computation Research
Taming the scale explosion in nuclear structure calculations with GPUs
Erik Saule (Ohio State University)
Field of Science: Cross-Disciplinary Activities
Campus Champion for Idaho State University
Keith Weber (Idaho State University)
Field of Science: Cross-Disciplinary Activities
Enabling Physics Research at the Information Frontier Using GPUs
Karen Tomko (Ohio State University)
Field of Science: Physics
MUSE: Multiscale Unified Simulation Environment
David Hall (National Center for Atmospheric Research (NCAR))
Field of Science: Earth Sciences
Large Data Visualization
Kwan-Liu Ma (University of California, Davis)
Field of Science: Computer and Computation Research
Ab Initio Computational Design of Interfaces And Nanostructures
Ramamurthy Ramprasad (University of Connecticut)
Field of Science: Materials Research
Gravitational Waves from Compact Binaries: Computational Contributions to LIGO
Saul A. Teukolsky (Cornell University)
Field of Science: Physics
Running coupling and anomalous dimension of SU(4) gauge theory with decuplet fermions
Thomas DeGrand (University of Colorado)
Field of Science: Physics
Texas State University - Campus Champion
Daniel Bylander (Texas State University)
Field of Science: Training
TeraGrid Campus Champions expanding resources to handle multiple projects/champions
Michael Bruck (University of Arizona)
Field of Science: Chemistry
Campus Champion for University of Arkansas
Jeff Pummill (University of Arkansas)
Field of Science: Training
Investigation of Conformational Changes of Antimicrobial Peptides Cecropin P1 C and Sheep Myeloid Peptide on Silica Nanoparticle Surface Using Molecular Dynamics Simulation
Ganesan Narsimhan (Purdue University)
Field of Science: Chemical, Thermal Systems
Molecular mechanism of a homeodomain sliding along DNA
Ignacia Echeverria (University of Maryland, College Park)
Field of Science: Molecular Biosciences
HPC course and module development
Angela Shiflet (Wofford College)
Field of Science: Computer and Computation Research
Robotic linac adaptation configuration
Dragos Constantin (Stanford University)
Field of Science: Cross-Disciplinary Activities
Fast solution for fractional advection-diffusion equations and its application to CO2 sequestration
Hong Wang (University of South Carolina)
Field of Science: Mathematical Sciences
Predictive electronic structure calculations on large molecular systems A pathway to linear scaling couple cluster method
Jacek Jakowski (University of Tennessee, Knoxville)
Field of Science: Advanced Scientific Computing
SmartTruck
John Anastos (BMI Corporation)
Field of Science: Design and Manufacturing Systems
First-principles studies of semiconductor and hydrogen storage materials
Chris Van de Walle (University of California-Santa Barbara)
Field of Science: Materials Research
Topics in Computational Cosmology: From Population III Stars to Galaxy Clusters
Brian OShea (Michigan State University)
Field of Science: Astronomical Sciences
Computational Studies of Protein/Peptide Interactions In Biological Membranes
Wonpil Im (University of Kansas)
Field of Science: Molecular Biosciences
Simulating North Atlantic air-sea carbon fluxes with eddy-permitting ocean state estimates
Daiwei Wang (Massachusetts Institute of Technology)
Field of Science: Ocean Sciences
Multiscale Research on Nanotoxicity
Jerzy Leszczynski (Jackson State University)
Field of Science: Materials Research
Magneto-Rotational Turbulence and Dynamo Action
Fausto Cattaneo (University of Chicago)
Field of Science: Astronomical Sciences
Campus Champion for University of Nebraska
Ashu Guru (University of Nebraska at Lincoln)
Field of Science: Training
Investigating Anesthesia Mechanisms through Study on Interactions between Anesthetics Molecules and Ligand-gated Ion Channels: Large-Scale Molecular Dynamics Simulation
Lu Liu (University of Pittsburgh School of Medicine)
Field of Science: Molecular Biosciences
Biomolecular Structure and Dynamics
Carlos Simmerling (SUNY at Stony Brook)
Field of Science: Chemistry
New Programming Tools and Numerical Algorithms for Memory/Network-efficient Extreme-scale Parallel Applications
Zhiyuan Li (Purdue University)
Field of Science: Computer and Computation Research
BEAGLE
Marc Suchard (University of California, Los Angeles)
Field of Science: Mathematical Sciences
Visual Analytics Tools for Data Analysis
Joshua New (Oak Ridge National Laboratory)
Field of Science: Mechanical and Structural Systems
Sequoia Programming Language
Michael Bauer (Stanford University)
Field of Science: Advanced Scientific Computing
Severe Weather Phenomena: Continued modeling studies of Winter Snowstorms and Severe Thunderstorms and Tornadoes
Brian Jewett (University of Illinois at Urbana-Champaign)
Field of Science: Atmospheric Sciences
Ghoniem Group
Tamer Crosby (University of California, Los Angeles)
Field of Science: Mechanical and Structural Systems
Geometrical Property of Light Harvesting Molecules
Hideya Koizumi (Arkansas State University)
Field of Science: Chemistry
evolution of circumstellar disks
Alice Quillen (University of Rochester)
Field of Science: Astronomical Sciences
Tsunami modeling of diferent source types along the Puerto Rico - Virgin Islands coastline
Alberto Lopez (University of Puerto Rico, Mayaguez)
Field of Science: Biological and Critical Systems
SPECFEM3D Finiteelement seismic wave simulations
Gordon Erlebacher (Florida State University)
Field of Science: Computer and Computation Research
Atomic Structures of Graphene Edges and Many-electron Effects in Graphene
Li Yang (Washington University in St. Louis)
Field of Science: Materials Research
QMC simulations
Jeongnim Kim (Oak Ridge National Laboratory)
Field of Science: Physics
Quantum State-to-State Reaction Dynamics
Aron Kuppermann (California Institute of Technology)
Field of Science: Chemistry
Magnetic Reconnection
Homayoun Karimabadi (University of California-San Diego)
Field of Science: Physics
Computing Conformational Change in Biomolecular Systems
Thomas Woolf (Johns Hopkins University)
Field of Science: Molecular Biosciences
Campus Champion for the University of Oregon
Sean Sharp (University of Oregon)
Field of Science: Training
Atomistic Simulations of Heat Transfer in Carbon Nanostructures and Laser Material Interactions
Leonid Zhigilei (University of Virginia)
Field of Science: Materials Research
Campus Champios program for University of Michigan
Brock Palen (University of Michigan)
Field of Science: Training
Applications of variational fracture: thermal cracks, hydraulic stimulation and thin films
Blaise Bourdin (Louisiana State University)
Field of Science: Mathematical Sciences
Campus Champion for the University of Nebraska
Adam Caprez (University of Nebraska at Lincoln)
Field of Science: Training
Campus Champion for Yale University
Andrew Sherman (Yale University)
Field of Science: Training
HabaneroC Runtime System for Heterogeneous Cluster Computing
Vivek Sarkar (Rice University)
Field of Science: Computer and Computation Research
AMBER evaluation on GPUs Hemostatic peptides and P450 modeling
Thomas Cheatham (University of Utah)
Field of Science: Molecular Biosciences
Student Training: Asteroseismology of Exoplanet Host Stars
Travis Metcalfe (National Center for Atmospheric Research)
Field of Science: Astronomical Sciences
Reactive molecular dynamics simulations of stress corrosion cracking and nanofluidics
Aiichiro Nakano (University of Southern California)
Field of Science: Materials Research
First-principles modeling of graphene-based materials under electric field
Jia-An Yan (Towson State University)
Field of Science: Materials Research
Porting and Optimizing a subgrid scale cloud model on a GPU cluster
John Dennis (National Center for Atmospheric Research)
Field of Science: Atmospheric Sciences
Characterizing the Formation History of the Milky Way
Facundo Gomez (Michigan State University)
Field of Science: Astronomical Sciences
Simulations of protein folding and assembly on surfaces
Joan-Emma Shea (University of California-Santa Barbara)
Field of Science: Chemistry
Molecular Dynamic Simulations of Hexokinase I and Fructose-1,6-bisphosphatase
Richard Honzatko (Iowa State University)
Field of Science: Molecular Biosciences
Multi-scale computational evaluation of wind loads on buildings
Girma Bitsuamlak (Florida International University)
Field of Science: Biological and Critical Systems
MFDnGPU
Erik Saule (Ohio State University)
Field of Science: Physics
Regression Framework Database
Lonnie Crosby (University of Tennessee, Oak Ridge)
Field of Science: Computer and Computation Research
Insertion and Folding Mechanisms of the WALP16 Model Peptide into Lipid Bilayers
Michela Taufer (University of Delaware)
Field of Science: Chemistry
DataCutter
Umit V. Catalyurek (The Ohio State University)
Field of Science: Computer and Computation Research
GPU MapReduce for Volunteer Computing
Feng Ji (North Carolina State University)
Field of Science: Computer and Computation Research
High performance computational simulation in quantum chemistry and biophysics
Edmond Chow (Georgia Institute of Technology)
Field of Science: Advanced Scientific Computing
The GlobalNet Project
Kalev Leetaru (University of Illinois at Urbana-Champaign)
Field of Science: Humanities
Dynamics of Two Component Signaling Systems
Sean Crosson (University of Chicago)
Field of Science: Molecular Biosciences
Flow Simulations for Predictive Analysis and Control of Wind Energy Systems
Onkar Sahni (Rensselaer Polytechnic Institute)
Field of Science: Chemical, Thermal Systems
Dual−Laser Dissociation of Gas Mixture for Diamond Thin Film Deposition
Hai-Lung Tsai (Missouri University of Science and Technology)
Field of Science: Design and Manufacturing Systems
First-Principle Simulations of Particle Acceleration in Magnetically-Dominated Jets: Code Scalability and 2D Results
Lorenzo Sironi (Harvard University)
Field of Science: Astronomical Sciences
the PLASMA project
Jack Dongarra (University of Tennessee, Knoxville)
Field of Science: Advanced Scientific Computing
Campus Champions program for Earlham College
Charles Peck (Earlham College)
Field of Science: Cross-Disciplinary Activities
porting and testing of DFTB dynamics to GPU
Jacek Jakowski (University of Tennessee, Knoxville)
Field of Science: Materials Research
Climate Change Impact on Water Quality and Quantity and Infrastructure in the Tennessee Watershed
Randy Gentry (University of Tennessee, Knoxville)
Field of Science: Earth Sciences
Lattice BGK simulations
Steven Orszag (Yale University)
Field of Science: Advanced Scientific Computing
Molecular Dynamic simulations of proteinbased organelles implications for biofuels production
Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
FirstPrinciples Calculation on Impurity Diffusivities in Ferritic Iron
Peter Liaw (University of Tennessee, Knoxville)
Field of Science: Materials Research
Optical Properties of Noble Metal Nanoparticles
Christine Aikens (Kansas State University)
Field of Science: Chemistry
PyLith Low Order FEM on GPUs
Matthew Knepley (University of Chicago)
Field of Science: Earth Sciences
Medical Image Analysis
Mihran Tuceryan (Indiana University-Purdue University, Indianapolis)
Field of Science: Advanced Scientific Computing
A Petaflop Cyberinfrastructure for Computing Free Energy Landscapes of Macro and Biomolecular Systems
Clare McCabe (Vanderbilt University)
Field of Science: Chemistry
Autotune - Parametric Simulation Tuning and Data Mining
Joshua New (Oak Ridge National Laboratory)
Field of Science: Information, Robotics, and Intelligent Systems
Parametric studies of SPH on the GPU
Ian Johnson (Florida State University)
Field of Science: Computer and Computation Research
Star Formation in the Galactic Center
Kevin Olson (Drexel University)
Field of Science: Astronomical Sciences
testing parallel file systems
Paul Buerger (Avetec)
Field of Science: Advanced Scientific Computing
CorningMaterialsScience
Leslie Button (Corning Incorporated)
Field of Science: Materials Research
Investigating the onset of plastic deformation in the presence of point defects in metals
David Bahr (Washington State University)
Field of Science: Materials Research
CorningMaterialsScience
Leslie Button (Corning Incorporated)
Field of Science: Materials Research
CorningMaterialsScience
Leslie Button (Corning Incorporated)
Field of Science: Materials Research
CorningMaterialsScience
Leslie Button (Corning Incorporated)
Field of Science: Materials Research
Insight into biomolecular structure, dynamics, interactions and energetics from simulation
Thomas Cheatham (University of Utah)
Field of Science: Cross-Disciplinary Activities
Spin Liquids and Valence Bond Crystals on the Kagome Lattice
Jesse Kinder (Case Western Reserve University)
Field of Science: Materials Research
Particle-In-Cell modeling of laser-accelerated proton beams from hemisphere shell targets
Bin Qiao (University of California-San Diego)
Field of Science: Physics
First-Principles Calculations to Enable New Energy-Efficient Display Technologies Using Se-adsorbed Single Walled Carbon Nanotubes
Carlos Marin (University of Puerto Rico System)
Field of Science: Materials Research
Large Eddy Simulation of Practical Turbulent Combustion
Peyman Givi (University of Pittsburgh)
Field of Science: Chemical, Thermal Systems
Slip History and Landslide Distribution of the 2008 Wenchuan, China, Earthquake
Stephen Hartzell (US Geological Survey)
Field of Science: Earth Sciences
Disentangling the Gaseous Content of Galaxies using Simulations
James Bullock (University of California-Irvine)
Field of Science: Astronomical Sciences
Campus Champions program for the SIUC Computing Community
Tonny Oyana (Southern Illinois University, Carbondale)
Field of Science: Advanced Scientific Computing
Agent based modeling of bone mechanotransduction
Sundar Srinivasan (University of Washington)
Field of Science: Molecular Biosciences
Engineering inhibitors of the Tissue Factor-Factor VIIa complex
Brendan Duggan (Medical University of South Carolina)
Field of Science: Molecular Biosciences
NCCS staff
Douglas Fuller (ORNL)
Field of Science: Computer and Computation Research
Pathways of conformational transitions crucial for signaling, enzyme catalysis and protein/protein interactions.
Dorothee Kern (Brandeis University)
Field of Science: Molecular Biosciences
Graph Algorithms on GPUs
Alex Pothen (Purdue University )
Field of Science: Computer and Computation Research
Nuclear Physics from Lattice QCD
Andrei Alexandru (George Washington University)
Field of Science: Physics
Metrics for High Performance Computing Applications and Platforms: Performance and Reliability
Matthew D. Jones (SUNY at Buffalo)
Field of Science: Computer and Computation Research
SMART
Xiaolin (Andy) Li (University of Florida)
Field of Science: Computer and Computation Research
Petascale Algorithms for Particulate Flows
George Biros (University of Texas at Austin)
Field of Science: Mathematical Sciences
Insitu analysis and visualization
Norbert Podhorszki (Oak Ridge National Laboratory)
Field of Science: Computer and Computation Research
Air quality impacts from southeast biomass burning
Yun-Fat Lam (University of Tennessee, Knoxville)
Field of Science: Atmospheric Sciences
Rupture History and Landslide Distribution of the 2008 Wenchuan, China, Earthquake
Stephen Hartzell (US Geological Survey)
Field of Science: Earth Sciences
First principles studies for pyrite (FeS2) as photovoltaic materials
Ruqian Wu (University of California-Irvine)
Field of Science: Chemistry
Blue Waters Undergraduate Petascale Education Program
Robert Panoff (The Shodor Education Foundation, Inc.)
Field of Science: Advanced Scientific Computing
Large-scale simulation of water-oxide interaction
Hai-Ping Cheng (University of Florida)
Field of Science: Materials Research
Collaborative Imaging: Supercomputing and the Arts
Evan Meaney (University of Tennessee, Knoxville)
Field of Science: Arts
Comparison of molecular dynamics simulations of dihydrofolate reductase bound to propargyl-linked antifolates leads to an understanding of the flexibility of active site loop residues critical for ligand potency and selectivity
Amy Anderson (University of Connecticut)
Field of Science: Molecular Biosciences
Campus Champion for Rochester Institute of Technology
Ralph Bean (Rochester Institute of Technology)
Field of Science: Training
Campus Champion UT Southwestern
Ed Ames (University of Texas Southwestern Medical Center)
Field of Science: Training
Numerical simulations of MHD wave propagation for local helioseismology
Ashley Crouch (NorthWest Research Associates)
Field of Science: Atmospheric Sciences
Radiative MHD Simulations of Solar Dynamics
Alexander Kosovichev (Stanford University)
Field of Science: Atmospheric Sciences
High Performance Computational Fluid Dynamics with GPU
George Karniadakis (Brown University)
Field of Science: Advanced Scientific Computing
Campus Champion for Temple University, College of Science and Technology
Axel Kohlmeyer (Temple University)
Field of Science: Training
Campus Champion for The University of Wisconsin - Eau Claire
Daniel Ernst (University of Wisconsin-Eau Claire)
Field of Science: Computer and Computation Research
High Throughtput Modeling of Nucleosome Stability
Thomas C Bishop (Louisiana Tech University)
Field of Science: Molecular Biosciences
Molecular Simulation of Structured Nano-Phases: Confinement Effects, Reaction, Diffusion, and Modeling of Disordered Nanoporous Carbons and Supercapacitor Materials
Keith E. Gubbins (North Carolina State University at Raleigh)
Field of Science: Chemistry
Quantum Monte Carlo and DMRG approaches to Strongly Correlated Systems
Bryan Clark (Princeton University)
Field of Science: Materials Research
Tracking the flow of electrons using computational and spectroscopic tools
Patrick El-Khoury (University of California-Irvine)
Field of Science: Physics
Campus Champion for Texas Southern University: High Performace Computing & Storage Utilization for Research in Science, Technology and Medicine
M. Farrukh Khan (Texas Southern University)
Field of Science: Computer and Computation Research
A Residual Based Turbulence Model for Large Eddy Simulation
Arif Masud (University of Illinois at Urbana-Champaign)
Field of Science: Mathematical Sciences
ALA
Neil Gershenfeld (MIT)
Field of Science: Computer and Computation Research
Nbody Simulations of Star Clusters
Aaron Geller (Northwestern University)
Field of Science: Astronomical Sciences
GPU Signal Processing
Daniel Campbell (Georgia Tech Research Institute)
Field of Science: Cross-Disciplinary Activities
Multiscale Modeling of Bifunctional Heterogeneous Catalysts
Andreas Heyden (University of South Carolina)
Field of Science: Chemical, Thermal Systems
Stochastic Modeling and SImulation
Roger Ghanem (University of Southern California)
Field of Science: Advanced Scientific Computing
Peptide-protein interactions for designing fluorescence imaging probes
Gang Bao (Georgia Institute of Technology)
Field of Science: Molecular Biosciences
Georgia Tech NSF ABI ONR HUNT
Tucker Balch (Georgia Institute of Technology)
Field of Science: Behavioral and Neural Sciences
Ab initio and classical simulation of dissolution of minerals
Stepan Hlushak (Vanderbilt University)
Field of Science: Chemistry
Campus Champion for University of Pennsylvania, School of Engineering and Applied Science
Sansern Somboonsong (University of Pennsylvania)
Field of Science: Training
Molecular Dynamics Simulations of the Transmembrane Proteins in lipid Membranes
Matthias Buck (Case Western Reserve University)
Field of Science: Molecular Biosciences
Turbulence simulations on GPUs
Pui-kuen Yeung (Georgia Institute of Technology)
Field of Science: Chemical, Thermal Systems
Careful treatment of polarizability to study ionic solutes at water interface and replica exchange-statistical temperature MD to investigate complex biomolecular transformations
Gungor Ozer (Boston University)
Field of Science: Chemistry
Simulations of quantum solids
Robert Hinde (University of Tennessee, Knoxville)
Field of Science: Chemistry
Campus Champion for University of Alaska Fairbanks
Gregory B Newby (University of Alaska, Fairbanks)
Field of Science: Polar Programs
Campus Champion for Great Plains Network
Kate Adams (Great Plains Network)
Field of Science: Training
Semiflexible ProteinDNA Docking on GPU Platforms
Bo Hong (Georgia Institute of Technology)
Field of Science: Biological and Critical Systems
Campus Champions Program for Purdue University
Kimberley Dillman (Purdue University)
Field of Science: Cross-Disciplinary Activities
Massive Black Hole Dynamics and Accretion During Galaxy Mergers
Marta Volonteri (University of Michigan)
Field of Science: Astronomical Sciences
Course on "Scientific Computing"
Gabrielle Allen (National Science Foundation)
Field of Science: Educational
Simulations of Black Hole Disk-Jet Connection
Alexander Tchekhovskoy (Princeton University)
Field of Science: Astronomical Sciences
Reconfiguring Steel Structures on TeraGrid. Energy Dissipation and Buckling Mitigation Through the Use of Steel Foams
Stefan Szyniszewski (Johns Hopkins University)
Field of Science: Mechanical and Structural Systems
PULSAR
Jakub Kurzak (University of Tennessee)
Field of Science: Computer and Computation Research
Estimating and Interpreting Natural Selection on Synonymous Codon Usage Across a Genome
Michael Gilchrist (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Campus Champion for the University of Montana
John Lucotch (University of Montana)
Field of Science: Training
Computational approach to complex and diverse biological systems
Guillermina Estiu (University of Notre Dame)
Field of Science: Chemistry
Data-intensive Protein Bioinformatics on the TeraGrid
Ananth Kalyanaraman (Washington State University)
Field of Science: Advanced Scientific Computing
Simulate the Diffuse Hot Gas in M31 Bulge
Daniel Q. Wang (University of Massachusetts, Amherst)
Field of Science: Astronomical Sciences
Campus Champions program for Auburn University Montgomery
Luis Cueva-Parra (Auburn University)
Field of Science: Chemical, Thermal Systems
Theoretical studies of biological systems
Alexander D. MacKerell, Jr. (University of Maryland, Baltimore County)
Field of Science: Molecular Biosciences
Klonos A similaritybased tool for porting large scale applications
Oscar Hernandez (Oak Ridge National Laboratory)
Field of Science: Computer and Computation Research
Parallel hybrid sequence assembly algorithms
Hamid Reza Chitsaz (Wayne State University)
Field of Science: Advanced Scientific Computing
Long time-scale simulations of the potassium channel KcsA in a spontaneous detergent micelle
Eduardo Perozo (University of Chicago)
Field of Science: Molecular Biosciences
Campus Champion for University of Maryland Baltimore County
Aaron Knister (University of Maryland, Baltimore County)
Field of Science: Training
An Integrated Theoretical and Solid-State NMR Investigation of the Hypothesized DsbB Thiolate-Ubiquinone Charge Transfer Complex and New Methods to Expedite NMR Structure Calculations
Chad Rienstra (University of Illinois at Urbana-Champaign)
Field of Science: Molecular Biosciences
An MPI CUDA based Parallel Implementation of LSQR Algorithm for Seismic Tomography
Liqiang Wang (University of Wyoming)
Field of Science: Cross-Disciplinary Activities
Automatic Performance Tuning of GPU Code
Mary Hall (University of Utah)
Field of Science: Computer and Computation Research
ComputerAided NanoDesignNanoEngineeringNanoManufacturing
Yan Wang (Georgia Institute of Technology)
Field of Science: Design and Manufacturing Systems
Echelon
Jeffrey Vetter (Oak Ridge National Laboratory)
Field of Science: Computer and Computation Research
Global Modeling of Earths Magnetosphere
Joachim Raeder (University of New Hampshire)
Field of Science: Atmospheric Sciences
Monte Carlo ensemble generation and correlation matrix element computations for hadronic physics on anisotropic lattices
Colin Morningstar (Carnegie Mellon University)
Field of Science: Physics
Computational discovery of molecular mechanisms of cell-shape remodeling and intracellular organization
Jen Hsin (Stanford University)
Field of Science: Molecular Biosciences
Full Human Body Finite Element Modeling and Blunt Impact Simulation
Joel Stitzel (Wake Forest University)
Field of Science: Mechanical and Structural Systems
Salt and Co-Solvent Effects for Proteins and Nucleic Acids
Bernard Pettitt (University of Texas Medical Branch)
Field of Science: Chemistry
Simulations of Molecular Clouds and Protoplanetary Disks
Mordecai-Mark Mac Low (American Museum of Natural History)
Field of Science: Astronomical Sciences
Asteroseismic Modeling Portal (AMP)
Travis Metcalfe (National Center for Atmospheric Research)
Field of Science: Astronomical Sciences
GROMACS Hybrid Molecular Dynamics
Roland Schulz (Oak Ridge National Laboratory)
Field of Science: Molecular Biosciences
HPGEOC
Yifeng Cui (University of California-San Diego)
Field of Science: Earth Sciences
Large scale simulations of multiple scattering of waves in random media and rough surfaces
Leung Tsang (University of Washington)
Field of Science: Earth Sciences
Molecular Dynamics Simulations of Crystallization in Astrophysical Plasmas
Charles J. Horowitz (Indiana University)
Field of Science: Astronomical Sciences
Collisionless Dissipative Processes in the Magnetotail and at the Magnetopause Boundary
Philip Pritchett (University of California-Los Angeles)
Field of Science: Atmospheric Sciences
Unleashing CHIMERA: Multidimensional Supernova Simulations
Bronson Messer (University of Tennessee, Knoxville)
Field of Science: Astronomical Sciences
All-atom molecular dynamics simulations of small protein folding
Yong Duan (University of California-Davis)
Field of Science: Molecular Biosciences
Theoretical condensed-matter physics
Marvin L. Cohen (University of California-Berkeley)
Field of Science: Materials Research
DIRECT NUMERICAL SIMULATION OF SPATIALLY DEVELOPING TURBULENT BOUNDARY LAYERS ON NSF TERAGRID SUPERCOMPUTERS
Antonino Ferrante (University of Washington)
Field of Science: Chemical, Thermal Systems
Multiscale Modeling of the Coupling between Langmuir Turbulence and Submesoscale Variability in the Oceanic Mixed Layer
Baylor Fox-Kemper (University of Colorado)
Field of Science: Ocean Sciences
Advanced modeling of nano-scale carbon and methalized carbon materials for the
Jacek Jakowski (University of Tennessee, Knoxville)
Field of Science: Materials Research
University of Iowa - Campus Champion
Ben Rogers (University of Iowa)
Field of Science: Training
Large scale MD simulations of anesthetic effects on ion channels
Pei Tang (University of Pittsburgh School of Medicine)
Field of Science: Molecular Biosciences
Atomistic and Coarse-Grained Modeling of Biomolecular Systems
Ravi Radhakrishnan (University of Pennsylvania)
Field of Science: Molecular Biosciences
SDCI HPC: Improvement and Release of the Uintah Computational
Martin Berzins (University of Utah)
Field of Science: Advanced Scientific Computing
Simulating Cosmic Reionization and Large-Scale Structure: 3D Radiative Transfer and Gravitational N-body Dynamics
Paul Shapiro (University of Texas at Austin)
Field of Science: Astronomical Sciences
Simulations of Binary Black Hole Systems
Pablo Laguna (Georgia Institute of Technology)
Field of Science: Physics
MOLECULAR SIMULATION STUDY OF THE HU210-CB1-Galphai1 COMPLEX: MOLECULAR MECHANISM OF GPCR ACTIVATION
Joong-Youn Shim (North Carolina Central University)
Field of Science: Molecular Biosciences
Hurricane Storm Surge Simulations on Petascale Computers
Clinton Dawson (University of Texas at Austin)
Field of Science: Mathematical Sciences
Tumor Suppressor Protein, PTEN, Alters Lipid Membrane Structure: Evidence from Molecular Simulation and Experiment
Hirsh Nanda (Carnegie Mellon University)
Field of Science: Molecular Biosciences
Campus Champion for University of Utah
Julia Harrison (University of Utah)
Field of Science: Training
Molecular Modeling of Novel DNA and Peptide Secondary Structures Formed by Hybridization with Carbon Nanotubes
Anand Jagota (Lehigh University)
Field of Science: Molecular Biosciences
Systematics of Nuclear Surface Vibrations in Deformed Nuclei
Jonathan Engel (University of North Carolina, Chapel Hill)
Field of Science: Physics
Video from a Single Exposure Coded Image
Jinwei Gu (Rochester Institute of Technology)
Field of Science: Information, Robotics, and Intelligent Systems
Campus Champion for Arizona State University
Gil Speyer (Arizona State University)
Field of Science: Training
Phase Field Simulations of Domain Microstructure Evolution
Yu Wang (Michigan Technological University)
Field of Science: Materials Research
Simulations of biomolecular systems and development of protein structure refinement methodology
Michael Feig (Michigan State University)
Field of Science: Molecular Biosciences
Drugome Platform
Justin Boyd (Chattanooga Research Institute)
Field of Science: Molecular Biosciences
Atomic detail studies of heterogeneous biological carbohydrate interactions
Olgun Guvench (University of New England)
Field of Science: Molecular Biosciences
Small-Scale Structures and Extended Self-Similarity in MHD Turbulence
Joanne Mason (University of Chicago)
Field of Science: Physics
Cyberinvestigations of compressible turbulence
Diego Donzis (Texas A&M University)
Field of Science: Chemical, Thermal Systems
MD Simulations of Mechanical Regulation of Biomolecular Interactions
Cheng Zhu (Georgia Institute of Technology)
Field of Science: Molecular Biosciences
Molecular Dynamic Simulations of Hexokinase I and Fructose-1,6-bisphosphatase
Richard Honzatko (Iowa State University)
Field of Science: Molecular Biosciences
Radical solutions to modern challenges: from CO2 reduction to antibiotics; Atom-level mechanisms of important metalloproteins.
Catherine Drennan (Massachusetts Institute of Technology)
Field of Science: Chemistry
Advanced Computational Science for High School Students
Keith Jackson (Oak Ridge High School)
Field of Science: Computer and Computation Research
Large-Scale Monte-Carlo Simulations of Models for Transition Metal Oxides and Pnictides
Elbio Dagotto (University of Tennessee, Knoxville)
Field of Science: Materials Research
The LHC Look-Alike Project on the Teragrid: Understanding LHC Discoveries
Maria Spiropulu (California Institute of Technology)
Field of Science: Physics
High Performance Computing Resources in Support of Spatiotemporal Relational Data Mining for Tornado Anticipation
Amy McGovern (University of Oklahoma)
Field of Science: Atmospheric Sciences
Probing TeV Physics through Neutron-Decay Matrix Elements
Huey-Wen Lin (University of Washington)
Field of Science: Physics
Campus Champions program for University of California Santa Barbara
Stefan Boeriu (University of California-Santa Barbara)
Field of Science: Advanced Scientific Computing
Large-scale molecular dynamics and Brownian dynamics investigation of ion permeation through the ligand-gated ion channel
Mary Cheng (University of Pittsburgh)
Field of Science: Molecular Biosciences
N-body simulations: Planets to Cosmology
Thomas Quinn (University of Washington)
Field of Science: Astronomical Sciences
Numerical Linked-Cluster Algorithms for Frustrated and Inhomogeneous Quantum-Mechanical Systems
Ehsan Khatami (Georgetown University)
Field of Science: Materials Research
Computational Mutagenesis Studies for Cancer Related Biomolecules
Tai-Sung Lee (Rutgers, the State University of New Jersey)
Field of Science: Molecular Biosciences
Molecular Dynamics Simulations of Lipid Membranes Containing Cyclopropane Fatty Acids
Andrew Thomas (University of Iowa)
Field of Science: Molecular Biosciences
Improved Isosurfacing
Timothy Newman (University of Alabama, Huntsville)
Field of Science: Advanced Scientific Computing
Simulations of Biomolecular Structure and Dynamics
Carlos Simmerling (SUNY at Stony Brook)
Field of Science: Molecular Biosciences
Modeling Studies of Nano and Biomolecular Systems
Adrian Roitberg (University of Florida)
Field of Science: Molecular Biosciences
MULTI-SCALING AND ISOTROPY IN ROTATING TURBULENCE
Annick Pouquet (National Center for Atmospheric Research)
Field of Science: Physics
Lattice Gauge Calculation of Hadronic Physics
Keh-Fei Liu (University of Kentucky)
Field of Science: Physics
Modeling ship propellers
Chryssostomos Chryssostomidis (Massachusetts Institute of Technology)
Field of Science: Mathematical Sciences
Peter Kollman Graduate Award in Supercomputing
Eleonora Gianti (University of the Sciences, Philadelphia)
Field of Science: Computer and Computation Research
Ab-initio Simulations of Materials Properties
John D. Joannopoulos (Massachusetts Institute of Technology)
Field of Science: Materials Research
Multi-scale modeling of Sarcoplasmic Reticulum Ca2+ ATPase function
Peter Kekenes-Huskey (University of California-San Diego)
Field of Science: Molecular Biosciences
A Database of Modular Forms
William Stein (University of Washington)
Field of Science: Mathematical Sciences
Molecular dynamics simulation of plastic deformation in bcc metals
Yizhe Tang (University of California-San Diego)
Field of Science: Mechanical and Structural Systems
Modeling Global Climate Variability with the Multi-scale Modeling Framework.
John Helly (University of California-San Diego)
Field of Science: Atmospheric Sciences
SmartTruck
John Anastos (BMI Corporation)
Field of Science: Design and Manufacturing Systems
SmartTruck
John Anastos (BMI Corporation)
Field of Science: Design and Manufacturing Systems
SmartTruck
John Anastos (BMI Corporation)
Field of Science: Design and Manufacturing Systems
SmartTruck
John Anastos (BMI Corporation)
Field of Science: Design and Manufacturing Systems
SmartTruck
John Anastos (BMI Corporation)
Field of Science: Design and Manufacturing Systems
SmartTruck
John Anastos (BMI Corporation)
Field of Science: Design and Manufacturing Systems
SmartTruck
John Anastos (BMI Corporation)
Field of Science: Design and Manufacturing Systems
SmartTruck
John Anastos (BMI Corporation)
Field of Science: Design and Manufacturing Systems
SmartTruck
John Anastos (BMI Corporation)
Field of Science: Design and Manufacturing Systems
SmartTruck
John Anastos (BMI Corporation)
Field of Science: Design and Manufacturing Systems
Gyrokinetic Turbulence Simulations in RFP Geometries
Moritz Pueschel (University of Wisconsin-Madison)
Field of Science: Physics
Mechanistic action of amyloid beta 1-42 monomers and dimers on NMDA receptors
H. Eugene Stanley (Boston University)
Field of Science: Molecular Biosciences
First Principles Based Modeling of Proton Diffusion in Decorated Carbon Nanotubes as Structurally Defined Systems for Proton Exchange Membranes
Stephen Paddison (University of Tennessee, Knoxville)
Field of Science: Materials Research
Effects of liquid crystal phase on charge carrier mobility
Rebecca Callahan (University of Colorado)
Field of Science: Chemistry
Understanding the Genetics of Fear
Alex Wiltschko (Harvard University)
Field of Science: Integrative Biology and Neuroscience
Chemical Tools for Epigenetic Readers
Olaf Wiest (University of Notre Dame)
Field of Science: Molecular Biosciences
Advanced electronic structure methods for hardware accelerators and their application to solar fuel cells
Thomas Hughes (Columbia University)
Field of Science: Chemistry
Lattice QCD for Heterogeneous Computing with QUDA and the Chroma and MILC application suites
Balint Joo (Jefferson Laboratory)
Field of Science: Physics
Campus Champions program for Binghamton University
James Wolf (SUNY at Binghamton)
Field of Science: Training
Experimental Measurements of Stresses and Strains of Granular Materials Using 3D NonDestructive Technologies
Khalid Alshibli (University of Tennessee, Knoxville)
Field of Science: Earth Sciences
Trading Volume in General Equilibrium with Complete Markets
Eric Aldrich (Duke University)
Field of Science: Social and Economic Science
climate change impact
Joshua Fu (University of Tennessee, Knoxville)
Field of Science: Atmospheric Sciences
Simulated Mutagenesis of VHH domain in explicit Solvent: Use of Generalized Hamiltonian Replica Exchange and Free-energy methods to determine free-energy landscape for the mutated hypervariable H1 loop
Matthew DeLisa (Cornell University)
Field of Science: Molecular Biosciences
Resolving the Solution Structure of Photosystem I
Paul Frymier (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Atomic detail studies of protein-carbohydrate interactions
Olgun Guvench (University of New England)
Field of Science: Molecular Biosciences
HPSS transfer
Mark Fahey (University of Tennessee, Knoxville)
Field of Science: Cross-Disciplinary Activities
Turbulence and Dynamics of Stars
Casey Meakin (Los Alamos National Laboratory)
Field of Science: Astronomical Sciences
Radiation Transport Calculations for Facility for Rare Isotope Beams
Mikhail Kostin (Michigan State University)
Field of Science: Physics
SOLVCON: A Supercomputing Software Framework for High-Fidelity Solutions of Hyperbolic PDEs and Conservation Laws
Sheng-Tao Yu (Ohio State University)
Field of Science: Mechanical and Structural Systems
Testing Universality in Block Copolymers
Jens Glaser (University of Minnesota)
Field of Science: Physics
Simulating the Co-Evolution of Galaxies and their Environment in Galaxy Groups
Marie Machacek (Smithsonian, Astrophys Obs)
Field of Science: Astronomical Sciences
Large-Scale Structure Formation within the Flavor-Mixed (Evaporating) Dark Matter Paradigm
Mikhail Medvedev (University of Kansas)
Field of Science: Astronomical Sciences
Structural dynamics of glutamate receptors
Albert Lau (Johns Hopkins University)
Field of Science: Molecular Biosciences
Mapping Protein Surfaces for Druggable Hot Spots: Mixed-Solvent Molecular Dynamics (MixMD)
Heather Carlson (University of Michigan)
Field of Science: Molecular Biosciences
Assessing perturbations of a lipid bilayer with Molecular Dynamics simulations
Gerald Feigenson (Cornell University)
Field of Science: Molecular Biosciences
Bioinformatics at Brown University
Mark Howison (Brown University)
Field of Science: Molecular Biosciences
Flow in partially-vegetated compound open-channel
Thorsten Stoesser (Georgia Institute of Technology)
Field of Science: Chemical, Thermal Systems
Campus Champion for University of California, Los Angeles
Tajendra Vir Singh (University of California-Los Angeles)
Field of Science: Training
Energetics of Membrane Protein Folding
Karen Fleming (Johns Hopkins University)
Field of Science: Molecular Biosciences
Campus Champion for Case Western Reserve University
Hadrian Djohari (Case Western Reserve University)
Field of Science: Training
Molecular dynamics simulations of the fusion protein complex
Maria Bykhovskaia (Universidad Central del Caribe)
Field of Science: Integrative Biology and Neuroscience
Enabling Neutron Science Research with the Neutron Science TeraGrid Gateway
John Cobb (Oak Ridge National Laboratory)
Field of Science: Materials Research
Coronal Heating Reduced Magnetohydrodynamics via GPGPUs
Liwei Lin (University of New Hampshire)
Field of Science: Physics
Framework for Performance Modeling and Prediction
Allan Snavely (University of California-San Diego)
Field of Science: Advanced Scientific Computing
|| Programming and Runtime Techniques with Charm++ and AMPI
Celso Mendes (University of Illinois at Urbana-Champaign)
Field of Science: Advanced Scientific Computing
A Theoretical Investigation of the Molecular Constituents of Oil Shale
Carol Parish (University of Richmond)
Field of Science: Chemistry
Fusogenic activity of influenza hemagglutinin peptides
Peter Kasson (University of Virginia)
Field of Science: Molecular Biosciences
Molecular dynamics simulation studies of polycationDNA binding for gene delivery
Robert Elder (University of Colorado)
Field of Science: Molecular Biosciences
NICS National Education Award
Mark Fahey (University of Tennessee, Knoxville)
Field of Science: Cross-Disciplinary Activities
a CUDA study
Feng Chen (Purdue University, West Lafayette)
Field of Science: Mathematical Sciences
Mechanics of Blood Flow in Microcirculation
Prosenjit Bagchi (Rutgers, the State University of New Jersey)
Field of Science: Chemical, Thermal Systems
High Performance and Scalable MPI with GPU Support
Dhabaleswar Panda (The Ohio State University)
Field of Science: Computer and Computation Research
Quantum Molecular Dynamics on GPUs
Marc Cawkwell (Los Alamos National Laboratory)
Field of Science: Advanced Scientific Computing
Nearshore Wave-Current Interaction and Sediment Transport Modeling
George Voulgaris (University of South Carolina)
Field of Science: Ocean Sciences
Enabling Neutron Science Research
John Cobb (Oak Ridge National Laboratory)
Field of Science: Materials Research
MULTISCALE COMPUTATIONS FOR CATALYTIC CHEMISTRY
Dionisios Vlachos (University of Delaware)
Field of Science: Chemistry
Study of activation and inactivation processes of G protein-coupled receptors, based on rhodopsin and beta2 adrenergic receptor
Krzysztof Palczewski (Case Western Reserve University)
Field of Science: Molecular Biosciences
DPLASMA
George Bosilca (University of Tennessee, Knoxville)
Field of Science: Advanced Scientific Computing
QCD with Four Flavors of Highly Improved Staggered Quarks
Robert Sugar (University of California-Santa Barbara)
Field of Science: Physics
Studies on electronic, magnetic and lattice properties of bolometeric materials
Richard Creswick (University of South Carolina)
Field of Science: Cross-Disciplinary Activities
Ultrascale simulations of blood flow in the intracranial arterial tree
George Karniadakis (Brown University)
Field of Science: Chemical, Thermal Systems
Campus Champion for University of Louisiana at Lafayette
Raju Gottumukkala (University of Louisiana, Lafayette)
Field of Science: Mathematical Sciences
Simulations of Biomolecular Systems and Proton Solvation and Transports
Gregory Voth (University of Chicago)
Field of Science: Chemistry
Computational studies of complex processes in biological macromolecular systems
Benoit Roux (University of Chicago)
Field of Science: Molecular Biosciences
SDSU Computational Sciences Research Network (CSRCnet) Testbed
Mary Thomas (San Diego State University)
Field of Science: Computer and Computation Research
Cerberus
Jeff Hammond (Argonne National Laboratory)
Field of Science: Chemistry
CSE 260/160 - Courses in Parallel Computation
Scott B. Baden (University of California-San Diego)
Field of Science: Computer and Computation Research
Evaluation of SPEED-ItFix protein-structure prediction algorithm for low homology sequences
Michael Wilde (Argonne National Laboratory)
Field of Science: Molecular Biosciences
Solubility and layering in giant planet interiors from ab initio thermodynamics simulations
Hugh Wilson (University of California-Berkeley)
Field of Science: Astronomical Sciences
OCI TeraGrid Learning
Barry Schneider (National Science Foundation)
Field of Science: Cross-Disciplinary Activities
Visualization and Dynamics of Massive GenotypicPhenotypic Networks
Amir Assadi (University of Wisconsin)
Field of Science: Cross-Disciplinary Activities
TGMCB110083
Olgun Guvench (University of New England)
Field of Science: Molecular Biosciences
Anderson Localization of Phonons in Thermoelectric Nanostructures: A Path to Efficient Thermoelectric Energy Generation
Bruce White (SUNY at Binghamton)
Field of Science: Materials Research
Campus Champion for University of Colorado, Boulder
Jazcek Braden (University of Colorado)
Field of Science: Training
MULTISCALE MODELING OF BLOOD FLOW AND CLOTTING IN CARDIOVASCULAR DEVICES
Joao Soares (SUNY at Stony Brook)
Field of Science: Chemical, Thermal Systems
NEATEC - Northeast Advanced Technological Education Center
Abraham Michelen (Hudson Valley Community College)
Field of Science: Chemistry
Numerical Simulation of 2D and 3D Turbulent Convection at Finite and Infinite Prandtl Numbers
Hans Johnston (University of Massachusetts, Amherst)
Field of Science: Computer and Computation Research
Campus Champion for Penn State
Jeffrey J. Nucciarone (Pennsylvania State University)
Field of Science: Training
Simulation and Analysis of Tornadogenesis in Simulated Supercell Thunderstorms
Leigh G. Orf (Central Michigan University)
Field of Science: Atmospheric Sciences
The Three Dimensional Reconstruction of Large Micro-CT Data Sets for the Production of Bio-CAD Blueprints of Tissue Structures to Guide Computer Integrated Manufacturing
William Mondy (Claflin University)
Field of Science: Integrative Biology and Neuroscience
Campus Bridging
Spiros Vellas (Texas A&M University)
Field of Science: Cross-Disciplinary Activities
Multigrid Algorithms for Domain-Wall Fermions in Lattice QCD
Saul Cohen (University of Washington)
Field of Science: Physics
CDC RD
Christopher Lynberg (Centers for Disease Control)
Field of Science: Advanced Scientific Computing
Microscopic Theory of Nuclear Fission
Jordan McDonnell (University of Tennessee, Knoxville)
Field of Science: Physics
Three-Dimensional Jet Noise Prediction Using Large Eddy Simulation
Gregory A. Blaisdell (Purdue University)
Field of Science: Advanced Scientific Computing
Einstein Genome Gateway (science gateway)
Joseph Hargitai (Albert Einstein College of Medicine)
Field of Science: Molecular Biosciences
Spin Dependence in Binary Black Hole Initial Data
Scott Hawley (Belmont University)
Field of Science: Physics
Simulations of neuraminidase in support of development of new anti-viral flu drugs for both group-1 and group-2 strains
Ross Walker (University of California-San Diego)
Field of Science: Chemistry
Center for Integrated Space Weather Modeling
Jack Quinn (Boston University)
Field of Science: Atmospheric Sciences
Morphological Control in the Synthesis of Silver Nanostructures: Role of Polyvinylpyrrolidone
Kristen Fichthorn (Pennsylvania State University)
Field of Science: Physics
Computational modeling of ultracold molecular collisions and reactions involving clusters and nanoparticles
Balakrishnan Naduvalath (University of Nevada-Las Vegas)
Field of Science: Chemistry
Molecular Dynamics Simulations in Bioenergy, Bioremediation and Protein Dynamics
Jeremy Smith (University of Tennessee, Knoxville)
Field of Science: Molecular Biosciences
Atomistic Simulations of Laser Interactions with Metals
Leonid Zhigilei (University of Virginia)
Field of Science: Materials Research
Campus Champion for University of Missouri - Kansas City
Paul Rulis (University of Missouri, Kansas City)
Field of Science: Training
Campus Champion for University of Wyoming
Bryan Shader (University of Wyoming)
Field of Science: Training
Scalable Autocalibrated Ice Sheet Modeling
Yingkui Li (University of Tennessee)
Field of Science: Earth Sciences
Campus Champion for University of Wisconsin-Milwaukee
Dan Siercks (University of Wisconsin-Milwaukee)
Field of Science: Training
Atomistic mechanisms of cyclic hardening of metallic glass under nanoindentation
Chuang Deng (Massachusetts Institute of Technology)
Field of Science: Mechanical and Structural Systems
Fall 2011 ECE/CS 5504
Mark Jones (Virginia Polytechnic Institute and State University)
Field of Science: Computer and Computation Research
Software Engineering Practices in High Performance Computing
Scott Hissam (Carnegie Mellon University)
Field of Science: Computer and Computation Research
Atomistic Simulations of Electrokinetic Transport of Ions and Colloidal Particles Through water confined in Silica Nanochannels
Harvey Zambrano (Ohio State University)
Field of Science: Chemical, Thermal Systems
Performance measurements and modelling of fragmentation-based quantum chemical methods
Alexander Gaenko (Iowa State University)
Field of Science: Advanced Scientific Computing
Serpin conformational change
Patrick Wintrode (Case Western Reserve University)
Field of Science: Molecular Biosciences
Numerical Relativity / Analytical Relativity Collaboration
Erik Schnetter (Louisiana State University)
Field of Science: Astronomical Sciences
Starrs Teragrid Champion Startup
Starr Hazard (Medical University of South Carolina)
Field of Science: Training
The Role of Climate System Noise in Climate Variability
James Kinter (Center for Ocean-Land-Atmosphere Studies)
Field of Science: Atmospheric Sciences
Generating Images and Spectra of Simulated Galaxies
Patrik Jonsson (Harvard University)
Field of Science: Astronomical Sciences
Fiscal Policy with Heterogeneous Agents and Incomplete Markets
Omer Acikgoz (Yeshiva University)
Field of Science: Social and Economic Science
MLS
Jacques Pienaar (Purdue)
Field of Science: Computer and Computation Research
Project Athena Climate Data Analysis and Visualization
Lawrence Marx (Center for Ocean-Land-Atmosphere Studies)
Field of Science: Atmospheric Sciences
Physicsbased protein structure refinement
Justin MacCallum (SUNY Stony Brook)
Field of Science: Molecular Biosciences
Communication efficient scaling of parallel applications onto Large Supercomputers
Radha Nandkumar (University of Illinois at Urbana-Champaign)
Field of Science: Networking and Communications Research
Visualization and Dynamics of Massive GenotypicPhenotypic Networks
Amir Assadi (University of Wisconsin)
Field of Science: Cross-Disciplinary Activities
Materials Knowledge Systems for High Fidelity Scale Bridging in Multiscale Models
Surya Kalidindi (Drexel University)
Field of Science: Materials Research
Molecular Modeling Studies of Synthetic Anion Transporter Pores in Biological and Synthetic Membranes
Adam Skelton (University of Dayton)
Field of Science: Materials Research
3D Visualization of Moral Compass Cognitive Architecture
Joseph Paradiso (Massachusetts Institute of Technology)
Field of Science: Information, Robotics, and Intelligent Systems
Structure and reactions of nuclei using complex scaling
Andras Kruppa (University of Tennessee, Knoxville)
Field of Science: Physics
Pilot study on interpolation and raster calculation via keeneland
Xuan Shi (Georgia Tech)
Field of Science: Advanced Scientific Computing
Transport of ions in nanoscale pores
M Anantram (University of Washington)
Field of Science: Cross-Disciplinary Activities
Campus Champion for University of South Carolina
Jerry Ebalunode (University of South Carolina)
Field of Science: Training
Computational Study of Earth and Planetary Materials
Ronald E. Cohen (Carnegie Institution of Washington)
Field of Science: Earth Sciences
Simulation of Wave Loads on Offshore Wind Turbines
David Schmidt (University of Massachusetts, Amherst)
Field of Science: Chemical, Thermal Systems
Quantum Simulations of Functionalized Nanocomposites
Xiao-Qian Wang (Clark Atlanta University)
Field of Science: Materials Research
The Onset of Tornadogenesis with Ultra-Fine Grids
Jerry Straka (University of Oklahoma)
Field of Science: Atmospheric Sciences
First-Principles Studies in Heterogeneous Catalysis
Carrie Farberow (University of Wisconsin-Madison)
Field of Science: Chemical, Thermal Systems
Understanding cellulose and cellulose-degrading enzymes for biofuels applications
Gregg Beckham (National Renewable Energy Laboratory)
Field of Science: Molecular Biosciences
Mesoscale Processes in the Northwest Pacific and Indian Oceans from POP
Julie McClean (Scripps Institution of Oceanography)
Field of Science: Ocean Sciences
High Performance Computing Resources in Support of Storm-Scale Numerical Weather Prediction
Ming Xue (University of Oklahoma)
Field of Science: Atmospheric Sciences
Development and application of multi-scale quantum models to study RNA catalysis
Darrin York (Rutgers, the State University of New Jersey)
Field of Science: Chemistry
Large Scale Simulation of Membrane Channels and Transporters
Emad Tajkhorshid (University of Illinois at Urbana-Champaign)
Field of Science: Molecular Biosciences
Simulations of High Velocity Clouds: Self-Consistent Non-Equilibrium Ionization Calculations
Kyujin Kwak (University of Georgia)
Field of Science: Astronomical Sciences
Enabling Breakthrough Kinetic Simulations of the Magnetosphere
Homayoun Karimabadi (University of California-San Diego)
Field of Science: Atmospheric Sciences
Campus Champion for Swarthmore College
Andrew Ruether (Swarthmore College)
Field of Science: Training
Investigating Scale-Out Performance of Loosely-Coupled Simulations Using Multiple Distributed Resources on the TeraGrid. Understanding the Energetics and Conformational Configurations of Nucleic Acids
Shantenu Jha (Rutgers, the State University of New Jersey)
Field of Science: Molecular Biosciences
Campus Champion Program for The University of Texas at El Paso
Rodrigo Romero (University of Texas at El Paso)
Field of Science: Mathematical Sciences
SCEC Rupture Dynamics Code Validation
Thomas Jordan (University of Southern California)
Field of Science: Earth Sciences
The Hyades Project: Disentangling Gaseous Halos using Simulations
James Bullock (University of California-Irvine)
Field of Science: Astronomical Sciences
Genome Informatics for animals and plants
Donald Gilbert (Indiana University)
Field of Science: Molecular Biosciences
HPC Class with KIDS
Jeffrey Vetter (Oak Ridge National Laboratory)
Field of Science: Educational
Magnetized AGN Feedback in Clusters of Galaxies
Paul M. Ricker (University of Illinois at Urbana-Champaign)
Field of Science: Astronomical Sciences
Multiscale Modeling of Carbon-Based Nanomaterials
Boris Yakobson (Rice University)
Field of Science: Materials Research
Lattice Strong Dynamics at the TeV scale
George Fleming (Yale University)
Field of Science: Physics
Ab Initio Molecular Dynamics of Proteins
Todd Martinez (Stanford University)
Field of Science: Chemistry
Development of accurate semiempirical methods for simulating mercury resistance enzymes
Jerry Parks (Oak Ridge National Laboratory)
Field of Science: Chemistry
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Leslie Button (Corning Incorporated)
Field of Science: Materials Research
Structure, energetics, vibrational spectroscopy, and phase transition of materials for energy and geochemical applications
Jianwei Wang (University of Michigan)
Field of Science: Materials Research
Lattice Gauge Theory on MIMD Parallel Computers
Robert Sugar (University of California-Santa Barbara)
Field of Science: Physics
HFIR LEU Conversion
James Freels (ORNL)
Field of Science: Mechanical and Structural Systems
Molecular Dynamics of Rod-Coil Block Copolymers
Muzhou Wang (Massachusetts Institute of Technology)
Field of Science: Materials Research
Protein Structure and Dynamics of Ureases
Benjamin Roberts (University of Auckland)
Field of Science: Molecular Biosciences
Multi-Year Renewal of MCA-07S005: High-throughput, Data-Mining and Genetic Calculations of material properties
Stefano Curtarolo (Duke University)
Field of Science: Materials Research
Duke GPU computing tests
Tom Milledge (Duke University)
Field of Science: Cross-Disciplinary Activities
Modeling Turbulent Convection and Differential Rotation in the Sun Using Spectral Difference Method
Chunlei Liang (George Washington University)
Field of Science: Atmospheric Sciences
MHD modeling of solar system processes on geodesic grids
Xiaocheng Guo (University of Alabama, Huntsville)
Field of Science: Atmospheric Sciences
An investigation of global atmospheric river dynamics and hydrology using the Community Atmosphere Model Version 5
Jesse Nusbaumer (University of Colorado)
Field of Science: Atmospheric Sciences
Investigating a Teragrid-Powered Bioinformatics Portal
Christopher Hemmerich (Indiana University)
Field of Science: Environmental Biology
Campus Champions for Brown University
Jaime Combariza (Brown University)
Field of Science: Training
Scaling Frequent Itemset Mining on Massively Parallel Platforms
Jason Bakos (University of South Carolina)
Field of Science: Computer and Computation Research
Understanding cellulose and cellulosedegrading enzymes for biofuels applications
Gregg Beckham (National Renewable Energy Laboratory)
Field of Science: Molecular Biosciences
Theoretical Studies of the De-wetting Mechanims of Metallic Thin-Films
Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)
Field of Science: Materials Research
Direct Numerical Simulation of Jet Noise using Hermite Methods
Daniel Appelo (University of New Mexico)
Field of Science: Advanced Scientific Computing
Migrating the Uintah Software to CPUGPU Architectures
Martin Berzins (University of Utah)
Field of Science: Advanced Scientific Computing
Controlling the movement of metallic metallic nanoscale objects via induced dewetting
Miguel Fuentes-Cabrera (University of Tennessee, Knoxville)
Field of Science: Physics
Insilico mutagenesis of betahairpin protein folding
Jesus A. Izaguirre (University of Notre Dame)
Field of Science: Cross-Disciplinary Activities
TGMCB090159 Understanding cellulose and cellulosedegrading enzymes for biofuels applications
Gregg Beckham (National Renewable Energy Laboratory)
Field of Science: Molecular Biosciences
SALAMI
John Downie (University of Illinois at Urbana-Champaign)
Field of Science: Humanities
UT Computational Chemistry
Robert Harrison (UT/ORNL)
Field of Science: Chemistry
Comprehensive reaction mechanism generation for hydrocarbon fuels
Ramanan Sankaran (Oak Ridge National Laboratory)
Field of Science: Chemistry
Mesoscale Plasticity through large scale computation
Amit Acharya (Carnegie Mellon University)
Field of Science: Materials Research
Evolving improved binary black hole initial data
Wolfgang Tichy (Florida Atlantic University)
Field of Science: Physics
Shuomas Project
Shuo Ma (San Diego State University)
Field of Science: Earth Sciences
Relating Genotypes to Phenotypes in Complex Environments
Peter Bailey (University of Arizona)
Field of Science: Molecular Biosciences
Parallel Replica Exchange Molecular Simulations for the Study of Protein-Ligand Binding and Dynamics
Ronald Levy (Rutgers, the State University of New Jersey)
Field of Science: Molecular Biosciences
Technology Insertion Service
John Lockman (University of Texas at Austin)
Field of Science: Computer and Computation Research
AIMD simulations of carbon nanotubes
Gary Hoffman (Elizabethtown College)
Field of Science: Chemistry
The enhancement effect of Pt clusters on the TiO2 photoactivity in solution
Christopher Muhich (University of Colorado)
Field of Science: Chemistry
Ab initio quantum mechanical studies on potential anti-malarial compounds
James A. Dix (SUNY at Binghamton)
Field of Science: Molecular Biosciences
Description of fission in a multidimensional collective space
Jochen Erler (University of Tennessee, Oak Ridge)
Field of Science: Physics
Largescale molecular dynamics simulation of multicomponent polymer systems Design of novel materials for applications in consumer goods energy storage and drugdelivery
Monojoy Goswami (Oak Ridge National Laboratory)
Field of Science: Materials Research
Large Scale Molecular Dynamic Simulations of Poly-Dots
Dvora Perahia (Clemson University)
Field of Science: Materials Research
Campus Champion for University of Arkansas at Pine Bluff
Benjamin Garlington (University of Arkansas, Pine Bluff)
Field of Science: Training
Molecular dynamics simulation of static and dynamic properties of fluids confined in nanopores
Zhi Liang (Missouri University of Science and Technology)
Field of Science: Chemical, Thermal Systems
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