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Abstract: We propose a proof of convergence of an adaptive method used in moleculardynamics to compute free energy profiles. Mathematically, it amounts tostudying the long-time behavior of a stochastic process which satisfies anon-linear stochastic differential equation, where the drift depends onconditional expectations of some functionals of the process. We use entropytechniques to prove exponential convergence to the stationary state.



Autor: Tony Lelievre CERMICS, Felix Otto Institute for Applied Mathematics Universitat Bonn, Mathias Rousset CERMICS, Gabriel Stoltz CER

Fuente: https://arxiv.org/







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