Vorträge in der Woche 07.05.2012 bis 13.05.2012

Montag, 07.05.2012: Sampling methods in molecular dynamics: efficient sampling of metastable trajectories

Professor Tony Lelievre PhD

Abstract: We will present some mathematical results on numerical methods for efficient sampling in molecular dynamics, with an emphasis on techniques used to sample trajectories between metastable states. This presentation is based on the following papers: [1] F. C rou, A. Guyader, T. Leli vre and D. Pommier, A multiple replica approach to simulate reactive trajectories, Journal of Chemical Physics 134, 054108, 2011. [2] C. Le Bris, T. Leli vre, M. Luskin and D. Perez, A mathematical formalization of the parallel replica dynamics, http://arxiv.org/abs/1105.4636, to appear in Monte Carlo Methods and Applications. [3] F. Legoll, T. Leli vre, /Effective dynamics using conditional expectations/, Nonlinearity, 23, 2131-2163, 2010.