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MRAC Awards for Quarter 1, 2005

Toby Allen, University of California-Davis
Investigation of Membrane Properties to Understand Protein Function Modulation
PSC TeraScale: 150,000
SDSC Roaming TG P690: 30,000
Teragrid Wide Roaming: 30,000

Peter Bernard, University of Maryland at College Park
High Performance Vortex Method Simulations
PSC TeraScale: 10,000
SDSC IBM P690: 80,000
SDSC Roaming TG P690: 30,000
SDSC TG IBM P690: 40,000
Teragrid Wide Roaming: 30,000

Michael Cross, California Institute of Technology
Rotating Rayleigh-Benard Convection
NCSA Xeon Linux Cltr: 120,000

Panagiotis Dimitrakopoulos, University of Maryland at College Park
Dynamics of Semiflexible Polymers and Multiphase Flows
Teragrid Wide Roaming: 90,000

Mostafa El-Alaoui, University of California-Los Angeles
Simulating the Inner Magnetospheric Environment With A Self Consistent Drift Kinetic-Magnetohydrodynamic Model
SDSC P655: 176,000

Flavio Fenton, San Diego Supercomputer Center
the Role of Anatomical Structure in Ventricular and Atrial Arrhythmias
PSC TeraScale: 55,000
SDSC Roaming TG P690: 30,000
Teragrid Wide Roaming: 30,000

Lev Gelb, Washington University
Molecular Simulations of Nanostructured Systems and Phase Equilibria
NCSA IBM P690: 25,000
NCSA Xeon Linux Cltr: 25,000
SDSC Roaming TG P690: 30,000
TeraGrid Cluster: 50,000

Thomas Hanratty, University of Illinois at Urbana-Champaign
Wall Turbulence
NCSA IBM P690: 10,000

Toshiko Ichiye, Georgetown University
Computational Studies of Electron Transfer Proteins
SDSC Roaming TG P690: 30,000
Teragrid Wide Roaming: 30,000
Texas Xeon Cluster: 200,000

Klaus Jensen, Massachusetts Institute of Technology
Crystal Growth in Quantum Dots: First-Principles Study
NCSA IBM P690: 50,000
SDSC P655: 43,000

Morton Kaplan, Carnegie Mellon University
Terascale Data Mining and Processing for the Star Experiment
PSC TeraScale: 80,000
Teragrid Wide Roaming: 60,000

Abdelkader Kara, Kansas State University
Bridging the Pressure Gap in the Co Adsorption On Metal Nanoparticles
SDSC Roaming TG P690: 30,000
TeraGrid Cluster: 18,000
Teragrid Wide Roaming: 30,000

Homayoun Karimabadi, University of California-San Diego
Three-Dimensional Kinetic Simulations of the Magnetosphere
SDSC P655: 200,000

Athol Kemball, University of Illinois at Urbana-Champaign
Interferometric Imaging Fidelity Assessment
NCSA Xeon Linux Cltr: 50,000

Konstantinos Konstantopoulos, Johns Hopkins University
Simulating the Effect of Cell Deformability On Cell-Cell and Cell-Substrate Adhesion in Shear Flow
NCSA IBM P690: 100,000

Aron Kuppermann, California Institute of Technology
Quantum State-to-State Reaction Dynamics
SDSC P655: 10,000

Cyrus Madnia, SUNY at Buffalo, All Campuses
Numerical Simulation and Modeling of Flame-Wall Interaction in A Reacting Vortex Ring
SDSC Roaming TG P690: 30,000
TeraGrid Cluster: 30,000
Teragrid Wide Roaming: 30,000

Krishnan Mahesh, University of Minnesota, All Campuses
Direct Numerical and Large-Eddy Simulation of Complex Turbulent Flows
SDSC P655: 46,000
Teragrid Wide Roaming: 150,000

Scott Makeig, University of California-San Diego
Advanced Modelling and Signal Processing for Analysis of Neurobiological Signals
SDSC P655: 10,000
SDSC Roaming TG P690: 30,000
TeraGrid Cluster: 100,000

Walter Mangel, Brookhaven National Lab
Molecular Dynamics Simulations of the Activation of the Adenovirus Proteinase By An Eleven Amino Acid Peptide Via A Signal Transduction Pathway
PSC TeraScale: 86,000
SDSC Roaming TG P690: 30,000
Teragrid Wide Roaming: 30,000

Philip Marcus, University of California-Berkeley
3d Vortices and Other Coherent Features in Planet and Star Formation and in Jovian Climate Change
SDSC P655: 185,000

Saroj Nayak, Rensselaer Polytechnic Institute
Multiscale Modeling in Nanostructured Materials: Physical and Biological Systems
NCSA Xeon Linux Cltr: 30,000

Mark Nimlos, National Renewable Energy Lab
Molecular Simulation of Cellulose Structures and Their Surface Interaction
SDSC Roaming TG P690: 30,000
TeraGrid Cluster: 10,000

Alain Phares, Villanova University
Surface Adsorption On Terraces and Nanotubes
PSC TeraScale: 25,000
SDSC Roaming TG P690: 30,000
Teragrid Wide Roaming: 30,000

Krishnan Raghavachari, Indiana University, All Campuses
Quantum Chemical Investigations of Materials Chemistry Using Truncated and Embedded Cluster
PSC HP Marvel: 60,000
SDSC Roaming TG P690: 30,000
Teragrid Wide Roaming: 30,000

Sutanu Sarkar, University of California-San Diego
A Tidal Boundary Layer Over Rough Topography
SDSC P655: 22,500

Uros Seljak, Princeton University
Simulating Small Scale Anisotropies in the Cosmic Microwave Background
NCSA IBM P690: 60,000

Nicola Spaldin, University of California-Santa Barbara
Influence of Microstructure On the Magnetic Properties of Novel Spintronic Oxides
SDSC P655: 200,000

Robert Stein, Michigan State University
Supergranulation Scale Solar Magneto-Convection
NCSA IBM P690: 75,000

Maxim Sukharev, Northwestern Univ
Optimal Control of Photochemical Reactions
Teragrid Wide Roaming: 10,000

Dean Tantillo, University of California-Davis
Mechanisms of Bioorganic and Organometallic Cyclization Reactions
PSC HP Marvel: 30,000
SDSC Roaming TG P690: 30,000
Teragrid Wide Roaming: 30,000

Gretar Tryggvason, Worcester Polytechnic Institute
Bubbly Flows, Microbubbles Drag Reduction, and Boiling Flows
SDSC P655: 198,030

Ali Uzun, Florida State University
Aeroacoustics of Wind Turbine Blades
NCSA Xeon Linux Cltr: 20,000

Axel Vandewalle, Northwestern Univ
First-Principles Investigation of Ge/Si Heteroepitaxy and Ai-Based Multicomponent Alloys
NCSA Xeon Linux Cltr: 100,000

Hyung-June Woo, University of Nevada-Reno
Conformational Free Energy Landscapes of Myosin Head Protein
PSC TeraScale: 10,000
SDSC Roaming TG P690: 30,000
Teragrid Wide Roaming: 30,000

Summary of Awards by Machine
Platform Total PIs Total SUs
NCSA IBM P690 6 320,000
NCSA Xeon Linux Cltr 6 345,000
PSC HP Marvel 2 90,000
PSC TeraScale 8 426,000
SDSC IBM P690 1 80,000
SDSC P655 10 1,090,530
SDSC Roaming TG P690 15 450,000
SDSC TG IBM P690 1 40,000
TeraGrid Cluster 5 208,000
Teragrid Wide Roaming 16 670,000
Texas Xeon Cluster 1 200,000

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