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MRAC Awards for Quarter 3, 2005

Adv Sci Comp

(1) Celso Mendes, University of Illinois at Urbana-Champaign
Parallel Programming and Adaptive Runtime Techniques for Massively Parallel Systems With Charm++ and Ampi
NCSA IBM P690: 20,000
NCSA Xeon Linux Supercluster: 100,000
TG PSC TCS1: 40,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

Astronomy

(2) Peter Diener, Louisiana State Univ, All Campuses
Rotating Stellar Core Collapse in 3d General Relativity
NCSA SGI Altix: 120,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 80,000
Teragrid Wide Roaming: 10,000

(3) Jacob Fisker, University of Notre Dame
Simulating the Interaction of Accretion Disks With the Surfaces of Compact Objects
NCSA SGI Altix: 30,000

(4) Hy Trac, Princeton University
Eulerian Hydrodynamic Simulations of the Lyman Alpha Forest
NCSA SGI Altix: 50,000

Atmos Sci

(5) John Seinfeld, California Institute of Technology
Global and Regional Atomospheric Inverse Modeling and Adjoint Analysis
TG NCSA SGI Altix: 10,000
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 72,000
Teragrid Wide Roaming: 10,000

Biochemistry

(6) Stephen Downie, University of Illinois at Urbana-Champaign
Molecular Systematics of the Flowering Plant Family Apiaceae
NCSA IBM P690: 50,000
TG SDSC IBM P690: 50,000
Teragrid Wide Roaming: 50,000

(7) Linda Jen-Jacobson, University of Pittsburgh, All Campuses
Molecular Dynamics Simulations of Site-Specific Protein-Dna Interactions: Configurational Dynamics and the Consequences of Electrostatic Strain
TG PSC TCS1: 70,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(8) Diane Lynch, University of North Carolina at Greensbo
Lipid Bilayer Role in the Termination of Endocannabinoid Signalling By Fatty Acide Amide Hydrolase
TG PSC TCS1: 184,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(9) John Rosenberg, University of Pittsburgh, All Campuses
Calculation of Pka's By Histogram Methods Via Explicit Solvent, Constant Ph and Discrete Protonation State Md/Mc Simulations
TG PSC TCS1: 100,000
TG PSC TCS1: 30,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(10) Jeffrey Skolnick, SUNY at Buffalo, All Campuses
Refinement of Predicted Low-Resolution Protein Models to High-Resolution All-Atom Structures
TG PSC TCS1: 85,000
TG SDSC IBM P690: 10,000
Teragrid Wide Roaming: 10,000

(11) Stephen Sontum, Middlebury College
Molecular Dynamic Studies of the Vibrational A States of Carboxy-Myoglobin
NCSA SGI Altix: 50,000

(12) Devarajan Thirumalai, University of Maryland at College Park
Mesoscopic Simulations of Protein-Protein Interactions in A Cellular Environment
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 160,000
Teragrid Wide Roaming: 10,000

Chem Eng

(13) John Abraham, Purdue University, All Campuses
Large Eddy Simulations of Unsteady Jets Under Diesel Conditions
NCSA Xeon Linux Supercluster: 120,000

(14) Kenneth Ball, Virginia Polytechnic Institute and State
Dynamic Eigenfunction Decomposition of Drag Reduced Wall-Oscillated Turbulent Pipe Flow
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 125,000
Teragrid Wide Roaming: 10,000

(15) Xiangying Chen, University of Miami
Prediction of Flow Induced Viration for Mistuned Bladed Disks Based On Fully Coupled Fluid-Structural Interactions
NCSA Condor Pool: 30,000

(16) Randy Snurr, Northwestern Univ
Quantum Chemical Calculations of Nox Reduction With Bay Zeolites
NCSA Xeon Linux Supercluster: 40,000

Chemistry

(17) Ronald Birke, CUNY City College
Dft Calculations for Viramin B12 Compounds and Reactions
TG SDSC IBM P690: 50,000
Teragrid Wide Roaming: 50,000

(18) James Medlin, University of Colorado, All Campuses
Molecular Models of Surface Reactions
SDSC Datastar IBM P655: 70,000

Design

(19) Suresh Advani, University of Delaware
Orientation of Nanotubes in Polymer Solutions
NCSA Xeon Linux Supercluster: 50,000

Earth Sci

(20) Ronald Cohen, Carnegie Inst of Washington
Computational Mineralogy - Theory Opens A View On the Interior of the Earth
NCSA SGI Altix: 11,416
NCSA IBM P690: 121,640
NCSA Xeon Linux Supercluster: 60,000

Mat Sci

(21) Sergey Stolbov, Kansas State University
First Principles Study of the Alkali Adsorption Effect On Properties of Co-Adsorbed Molecules
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 100,000
Teragrid Wide Roaming: 10,000

Physics

(22) Steve Barwick, University of California-Irvine
Large Scale Analysis and Simulation With the Amanda Experiment
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 40,000
Teragrid Wide Roaming: 10,000

(23) Steve Liebling, Long Island University
Novel Implementation of Adaptive Mesh for Numerical Relativity
TG SDSC IBM P690: 10,000
TeraGrid Cluster: 50,000
Teragrid Wide Roaming: 10,000

Social Sci

(24) Gerald Nelson, University of Illinois at Urbana-Champaign
Modeling Land Use in Sumatra, Indonesia
NCSA Xeon Linux Supercluster: 100,000

Summary of Awards by Discipline
Discipline Total Reqs Total SUs
Adv Sci Comp 1 180,000
Astronomy 3 300,000
Atmos Sci 1 102,000
Biochemistry 7 929,000
Chem Eng 4 335,000
Chemistry 2 170,000
Design 1 50,000
Earth Sci 1 193,056
Mat Sci 1 120,000
Physics 2 130,000
Social Sci 1 100,000
Summary of Awards by Machine
Machine Total Reqs Total SUs
NCSA Condor Pool 1 30,000
NCSA IBM P690 3 191,640
NCSA SGI Altix 5 261,416
NCSA Xeon Linux Supercluster 6 470,000
SDSC Datastar IBM P655 1 70,000
SDSC Datastar IBM P690 0
TG NCSA SGI Altix 1 10,000
TG PSC TCS1 6 509,000
TeraGrid Cluster 7 627,000
TG SDSC IBM P690 14 220,000
Teragrid Wide Roaming 14 220,000

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