Workshop Agenda

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Workshop Organized by Brookhaven National Laboratory, Stony Brook University, and IBM
Charles B Wang Center, Stony Brook University, Stony Brook, NY

Monday, September 12, 2005

08:00 am Coffee
08:30 am Welcome and Opening Remarks Peter Paul, BNL/SBU
  Session I:  Yuefan Deng, SBU, Chair
08:45 am Mathematical Software for High-End Computing and Applications in Fusion Energy Research David Keyes, Columbia
09:15 am Using Novel Methodology, Parallel Algorithms, and Computer Simulation to Probe Biophysical, Materials, and Chemical Systems Glenn Martyna, IBM
09:45 am Fidelity Discrimination in DNA Polymerase Beta:  Differing Closing Conformational Profiles for a Mismatched (G:A) Versus Matched (G:C) Base Pair Tamar Schlick, NYU
10:15 am Break
  Session II:  Roman Samulyak, BNL, Chair
10:30 am Thermal Management Simulations Pawel Keblinski, RPI
11:00 am Massively Parallel Computing for Proteins and Membranes Robert Germain, IBM
11:30 am Energy-Related Computational Studies James Muckerman, BNL
12:00 pm Lunch
  Session III:  Carl Anderson, BNL, Chair
1:00 pm Simulations of Protein Structure and Folding: What Can We Learn? Carlos Simmerling, SBU
1:30 pm Non-equilibrium Assembly of Nanoparticles and Soft Materials David Reichman, Columbia
2:00 pm The Workings of the Translational Machine as Seen by the Electron Microscope: Computer Power Needed for Atomic Resolution and Ribosomal Dynamics Joachim Frank, Howard Hughes Medical Institute
2:30 pm Break
  Session IV:  Mark Hybertsen, Columbia, Chair
2:45 pm Toward Quantitative Accuracy in Biomolecular Simulations Benoit Roux, Cornell/Weill
3:15 pm New Insights into Strongly Correlated Electron Systems with Leadership Computing Thomas Schulthess, ORNL
3:45 pm Highlights of Blue Gene/L and its Applications George Chiu, IBM
4:15 pm Round Table Discussion
James Glimm, SBU, Chair
Ravi Iyengar, Mt. Sinai; Thomas Lippert, Jlich; Ajay Royyuru, IBM;
Martin Schultz, Yale
5:15 pm Summary and Outlook James Davenport
5:30 pm Workshop Ends
Dinner at 6:00 for those staying over

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Last Modified: September 8, 2005

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