Long-time convergence of an Adaptive Biasing Force method

Tony Lelievre; Felix Otto; Mathias Rousset; Gabriel Stoltz

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arXiv · 0706.1695

Long-time convergence of an Adaptive Biasing Force method

Tony Lelievre·Felix Otto·Mathias Rousset·Gabriel Stoltz

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Abstract

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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Tony Lelievre, Felix Otto, Mathias Rousset, Gabriel Stoltz. 2007-06-12. Long-time convergence of an Adaptive Biasing Force method. https://arxiv.org/abs/0706.1695

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