Long-time convergence of an Adaptive Biasing Force method
Analysis of PDEs
2007-06-13 v1 Statistical Mechanics
Computational Physics
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.
Cite
@article{arxiv.0706.1695,
title = {Long-time convergence of an Adaptive Biasing Force method},
author = {Tony Lelievre and Felix Otto and Mathias Rousset and Gabriel Stoltz},
journal= {arXiv preprint arXiv:0706.1695},
year = {2007}
}