Title: Molecular dynamics at constant temperature - Some mathematical and numerical results
 
Speaker: Eric Cances, CERMICS, Ecole Nationale des Ponts et Chaussees
                              
Date/Time: Wednesday, October 12, 2005, 2:45-3:45pm (MT)

Location: Building 980, Room 95 (Sandia NM), Building 915, Room S101 (Sandia-CA)

Brief Abstract: Phase-space integrals are widely used in Statistical Physics to relate the macroscopic properties of a system to elementary phenomena at the molecular scale. In this talk, I will present and compare, from both theoretical and numerical viewpoints, different NVT (constant temperature) phase-space sampling methods. I will focus in particular on the Langevin dynamics, the Hybrid Monte Carlo method and deterministic thermostatting methods (Nose'-Hoover chains, Nose'-Poincare' and Recursive Multiple Thermostats).