NRAC Awards for quarter 2, 2002 (4/1/2002 - 6/30/2002)
Kim Baldridge, San Diego Supercomputer Center
Integration of Quantum Solvation Algorithms and Interactive Visualization & Analysis Tools for Study of Charge Distribution / Redistribution in Photodynamic Systems
NCSA Origin2000: 25,000
SDSC SP Blue Horizon: 25,000
James Briggs, University of Houston
Dynamics and Inhibition of Biomolecules
SDSC T3E: 100,000
Suse Broyde, New York University
Structure-Function Relationships in the Recognition of Oxidative Damage By Dna Repair Proteins: Elucidating Substrate Discrimination By Dna Glycosylases Through Molecular Dynamics Simulations
IBM SP at U Michigan: 150,000
Roberto Car, Princeton University
Terascale Simulation Techniques for Chemistry, Materials Science, and Biology
PSC TeraScale: 2,300,000
Kyeongjae Cho, Stanford University
Simulations of the Materials At Nanoscale
NCSA Origin2000: 155,000
TEXAS IBM POWER 4: 36,000
Marvin Cohen, University of California-Berkeley
Theoretical Condensed Matter Physics
NCSA Origin2000: 115,000
SDSC SP Blue Horizon: 135,000
Yong Duan, University of Delaware
All-Atom Molecular Dynamics Simulations of Folding of Peptides and Small Proteins
PSC TeraScale: 50,000
Arthur Freeman, Northwestern Univ
Fundamentals of Dislocation and Fracture Properties of Intermetallics: Theory Starting From First Principles
NCSA Origin2000: 80,000
TEXAS IBM POWER 4: 3,000
Richard Friesner, Columbia University in the City of New York
Computational Modeling of Biological Systems
NCSA Origin2000: 150,000
Henry Fuchs, University of North Carolina at Chapel Hill
Real-Time Long-Distance Terascale Computation for Full Bandwidth Tele-Immersion
PSC TeraScale: 100,000
Omar Ghattas, Carnegie Mellon University
Simulation of Flows With Dynamic Interfaces, With Application to Microstructural Blood Flow Modeling
Cray PT3E: 120,000
PSC TeraScale: 70,000
Charles Goodrich, University of Maryland at College Park
Integrated Space Weather Modeling
Boston Origin2000: 20,000
Boston SP: 10,000
Exemplar: 20,000
NCSA IA32 Linux SClu: 60,000
NCSA Origin2000: 34,000
Cray PT3E: 40,000
PSC TeraScale: 200,000
SDSC SP Blue Horizon: 120,000
Keith Gubbins, North Carolina State University at Raleigh
Molecular Simulation of Structured Nano-Phases: Confinement Effects and Self-Assembly in Solution
IBM SP at U Michigan: 25,000
SDSC SP Blue Horizon: 38,016
SDSC T3E: 144,886
Texas SV1: 750
Peter Hauschildt, University of Georgia
Non-Standard Stellar Atmospheres
SDSC SP Blue Horizon: 150,000
Kendall Houk, University of California-Los Angeles
Organic Reactivity, Biological Catalysis, Asymmetric Organic Reactions, and Carceplexes
NCSA Origin2000: 120,000
Chi-Yu Hu, California State University-Long Beach
Multichannel Scattering Cross Sections Via the Faddeev Method
PSC TeraScale: 300,000
SDSC SP Blue Horizon: 50,000
Kenneth Jansen, Rensselaer Polytechnic Institute
Parallel Automated Adaptive Simulation Technologies
NCSA IA64 Linux: 10,000
NCSA Origin2000: 200,000
PSC TeraScale: 10,000
SDSC SP Blue Horizon: 10,000
John Joannopoulos, Massachusetts Institute of Technology
Ab-Initio Simulations of Materials Properties
NCSA Origin2000: 13,810
PSC TeraScale: 402,000
SDSC SP Blue Horizon: 90,360
TEXAS IBM POWER 4: 2,500
George Karniadakis, Brown University
Deterministic and Stochastic Cfd Simulations
NCSA IA64 Linux: 500,000
NCSA Origin2000: 200,000
PSC TeraScale: 290,000
SDSC SP Blue Horizon: 350,000
John Kim, University of California-Los Angeles
Numerical Study of Turbulent Boundary Layers
NCSA Origin2000: 50,000
Cray PT3E: 100,000
PSC TeraScale: 50,000
SDSC Sun HPC 10000: 22,000
SDSC SP Blue Horizon: 130,000
TEXAS IBM POWER 4: 2,500
Toichiro Kinoshita, Cornell University, All Campuses
Theoretical Study of Lepton Anomalous Magnetic Moments
IBM SP at U Michigan: 150,000
IBM SP at U Michigan: 100,000
SDSC SP Blue Horizon: 300,000
Condor: 100,000
Anatoly Klypin, New Mexico State University, All Campuse
Formation and Evolution of Galaxies and Galaxy Clusters
NCSA Origin2000: 133,000
Krzysztof Kuczera, UNIVERSITY OF KANSAS, ALL CAMPUSES
Simulations of Long-Term Dynamics of Calmodulin in Solution
Exemplar: 10,000
NCSA Origin2000: 100,000
Inhan Lee, University of Michigan, All Campuses
Dendrimer Architectural Modeling for the New Cancer Therapeutic Applications
PSC TeraScale: 145,000
Michael Levitt, Stanford University
Computational Support for Critical Assesment of Structure Prediction (Casp) of Proteins
PSC TeraScale: 1,000,000
Keh-Fei Liu, University of Kentucky, All Campuses
Lattice Gauge Calculation of Hadronic Physics
Exemplar: 300,000
SDSC SP Blue Horizon: 200,000
Alexander Mackerell, University of Maryland at Baltimore
Atomic Detail Investigations of the Structural and Dynamic Properties of Biological Systems
Exemplar: 6,800
Cray PT3E: 90,000
PSC TeraScale: 66,500
Jeffry Madura, Duquesne University
Biomolecular Simulations
Cray PT3E: 150,000
Thomas Maier, University of Cincinnati, All Campuses
Simulations Employing the Dynamical Cluster Approximation
PSC TeraScale: 200,000
Richard Matzner, University of Texas at Austin
Binary Black Holes and Gravitational Radiation
NM LL Linux SCluster: 30,000
NCSA Origin2000: 135,000
SDSC SP Blue Horizon: 100,000
Manos Mavrikakis, University of Wisconsin-Madison
Catalyst Design From First-Principles
TEXAS IBM POWER 4: 75,000
J Andrew Mccammon, University of California-San Diego
Theory of Biomolecular Structure and Dynamics
SDSC SP Blue Horizon: 500,000
George Morales, University of California-Los Angeles
Pic Simulations of Alfvenic Wave-Particle Interactions in Magnetized Plasmas
SDSC SP Blue Horizon: 5,000
SDSC T3E: 105,000
Warren Mori, University of California-Los Angeles
Full-Scale Three-Dimensional Numerical Experiments On High-Intensity Particle and Laser Beam-Matter Interactions
PSC TeraScale: 60,000
Michael Norman, University of California-San Diego
Testing the Concordance Model of Cosmological Structure Formation
NCSA IA32 Linux SClu: 600,000
NCSA Origin2000: 440,000
PSC TeraScale: 600,000
SDSC SP Blue Horizon: 360,000
Joel Primack, University of California-Santa Cruz
Galaxy Interaction Simulations
PSC TeraScale: 133,000
Thomas Quinn, University of Washington
Gravitational N-Body Simulations: Planet Formation to Cosmology
NCSA Origin2000: 60,000
PSC TeraScale: 140,000
Joachim Raeder, University of California-Los Angeles
Global Modeling of Earth's Magnetosphere
NCSA IA32 Linux SClu: 35,000
NCSA IA64 Linux: 60,000
NCSA Origin2000: 96,000
PSC TeraScale: 15,000
SDSC SP Blue Horizon: 110,000
Mohan Ramamurthy, University of Illinois at Urbana-Champaign
Mesoscale Ensemble and Predictability Studies
NCSA Origin2000: 150,000
Andrew Rappe, University of Pennsylvania
Pollution Control Catalysts By Design: Modeling Supported Rhodium and Palladium Nanoparticles
NCSA Origin2000: 163,080
David Richie, Ohio State University, All Campuses
Accelerated Molecular Dynamics Simulations of Defect Evolution.
NCSA Origin2000: 75,000
Harold Scheraga, Cornell University, All Campuses
Development and Application of A Hierarchical Protocol for Ab Initio Prediction of Protein Structure
PSC TeraScale: 300,000
Edward Seidel, Natl Center for Supercomputing App
Numerical Relativity and Black Hole Mergers
HP V2500 at Caltech: 2,000
Exemplar: 2,000
IBM SP at U Michigan: 2,000
NCSA IA32 Linux SClu: 100,000
NCSA IA64 Linux: 100,000
NM LL Linux SCluster: 100,000
NCSA Origin2000: 100,000
PSC TeraScale: 500,000
SDSC Sun HPC 10000: 2,000
SDSC SP Blue Horizon: 100,000
SDSC T3E: 2,000
TEXAS IBM POWER 4: 500
Condor: 2,000
Wai-Mo Suen, Washington University
Computational General Relativistic Astrophysics
NCSA Origin2000: 75,000
PSC TeraScale: 250,000
Juri Toomre, University of Colorado, All Campuses
Coupling of Turbulent Compressible Solar Convection With Rotation, Shear and Magnetic Fields
NCSA Origin2000: 330,000
PSC TeraScale: 360,000
SDSC SP Blue Horizon: 560,000
Henry Tufo, University of Chicago
Simulation of Transition in Vascular Flows
PSC TeraScale: 300,000
Ralph Wheeler, University of Oklahoma, All Campuses
Simulating Electron and Ion Transport
NCSA Origin2000: 100,000
Robert Wilhelmson, University of Illinois at Urbana-Champaign
the Numerical Simulation of Convective Clouds and Boundaries
NCSA IA32 Linux SClu: 4,000
NCSA IA64 Linux: 55,800
NCSA Origin2000: 228,055
| Platform | Total PIs | Total SUs |
| SDSC SP Blue Horizon | 19 | 3,333,376 |
| Condor | 2 | 102,000 |
| IBM SP at U Michigan | 5 | 427,000 |
| NM LL Linux SCluster | 2 | 130,000 |
| Boston SP | 1 | 10,000 |
| NCSA IA64 Linux | 5 | 725,800 |
| SDSC T3E | 4 | 351,886 |
| PSC TeraScale | 24 | 7,841,500 |
| NCSA IA32 Linux SClu | 5 | 799,000 |
| Cray PT3E | 5 | 500,000 |
| HP V2500 at Caltech | 1 | 2,000 |
| Exemplar | 5 | 338,800 |
| TEXAS IBM POWER 4 | 6 | 119,500 |
| SDSC Sun HPC 10000 | 2 | 24,000 |
| Texas SV1 | 1 | 750 |
| NCSA Origin2000 | 25 | 3,327,945 |
| Boston Origin2000 | 1 | 20,000 |
