IMA Molecular Simulations: Algorithms, Analysis, and Applications
University of Minnessota, Minneapolis, MN
May 18-22, 2009

http://www.ima.umn.edu/2008-2009/W5.18-22.09/

Weinan E Mathematics and Program in Applied and Computational Mathematics,
Princeton University
Ron Elber  Computer Science, Cornell University
Daan Frenkel  FOM Institute for Atomic and Molecular Physics
Tamar Schlick  Computational Biology/Chemistry/Biomathematics, New York
University

Description:

This workshop will bring together mathematicans, chemists, physicists,
biologists and researchers from other disciplines whose work pertains to
statistical mechanics and molecular dynamics used in simulations of
biomolecular, chemical, and liquid or solid state systems. We will consider
key aspects of molecular simulationsnumerical algorithms, mathematical
analysis and applications--paying special attention to problems that call
for new methodologies or mathematics.

Relevant topics include sampling methods, methods for free energy
calculation, reaction pathways and reaction rates, long-time integration,
geometric integrators, trajectory analysis, stochastic and Monte Carlo
methods, and Car-Parrinello dynamics. Numerical methodologies, mathematical
theory, and applications will be discussed.

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