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arxiv: 0706.1695 · v1 · submitted 2007-06-12 · 🧮 math.AP · cond-mat.stat-mech· physics.comp-ph

Long-time convergence of an Adaptive Biasing Force method

classification 🧮 math.AP cond-mat.stat-mechphysics.comp-ph
keywords convergenceadaptivelong-timemethodprocessstochasticamountsbehavior
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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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