Saturday, March 15

4:00 PM-6:00 PM
Chair: John A. Board, Duke University
Greenway A-B

CP11
Molecular Dynamics

4:00 Practical Parallelization of a Molecular Dynamics Application on Shared and Distributed Memory Machines

Masayuki Kuba, Asahi Chemical Industry, Fuji, Japan, and Marie-Christine Brunet and Constantine D. Polychronopoulos, University of Illinois, Urbana-Champaign

4:20 Parallel MD--Simulations of Synthetic Polymers

Bernd Jung, Johannes Guttenberg Universitat, Germany, Hans-Peter Lenhof, Peter Müller, and Christine Rüb, Max-Planck-Institut fur Informatik, Germany

4:40 Parallel Molecular Dynamics using Truncated Octahedron Periodic Boundaries

Jeffery K. Little, AFIT/ENY

5:00 Particle--Mesh Ewald and rRESPA for Parallel Molecular Dynamics Simulations

Steve Plimpton, Sandia National Laboratories, Albuquerque, Roy Pollock, Lawrence Livermore National Laboratory, and Mark Stevens, Sandia National Laboratories, Albuquerque

5:20 Parallel Particle Simulations Using the POOMA Framework

Julian C. Cummings and William F. Humphrey, Los Alamos National Laboratory

5:40 Automatic Differentiation of a Parallel Molecular Dynamics Application

Paul D. Hovland, University of Illinois, Urbana-Champaign, and Christian H. Bischof and Lucas J. Roh, Argonne National Laboratory

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