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We present two numerical methods to efficiently generate metastable dynamics. The first method is an adaptive multilevel sampling technique that we have adapted to generate reactive trajectories. The second method is the Parallel Replica Dynamics proposed by A. Voter in 1998, for which we propose a mathematical analysis to understand the efficiency of the approach. The presentation is based on the following papers: - F. Cérou, A. Guyader, T. Lelièvre and D. Pommier, A multiple replica approach to simulate reactive trajectories, Journal of Chemical Physics, 134, 054108, (2011). - C. Le Bris, T. Lelièvre, M. Luskin and D. Perez, A mathematical formalization of the parallel replica dynamics, http://arxiv.org/abs/1105.4636 |
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