Long-time convergence of an Adaptive Biasing Force method

Details Long-time convergence of an Adaptive Biasing Force method Long-time convergence of an Adaptive Biasing Force method

2007-06-12

arxiv.org/abs/0706.1695v1

Mathematics

Analysis of PDEs

Scientific paper

We propose a proof of convergence of an adaptive method used in molecular dynamics to compute free energy profiles. Mathematically, it amounts to studying the long-time behavior of a stochastic process which satisfies a non-linear stochastic differential equation, where the drift depends on conditional expectations of some functionals of the process. We use entropy techniques to prove exponential convergence to the stationary state.

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