17–18 nov. 2022
Université Claude Bernard Lyon I, campus de la Doua.
Fuseau horaire Europe/Paris

Eyring Kramers law and exit rates for the overdamped Langevin process

17 nov. 2022, 16:45
45m
Université Claude Bernard Lyon I, campus de la Doua.

Université Claude Bernard Lyon I, campus de la Doua.

Bâtiment Braconnier Mail Claude Bernard Villeurbanne

Orateur

Boris Nectoux

Description

The kinetic Monte Carlo method (kMC) is widely used in practice to accelerate the sampling of the exit event from a metastable state in Molecular Dynamics. The so-called accelerated algorithms introduced by A.F. Voter and al. are based on the fact that the exit event is well aproximated by a kMC method parametrized by exit rates computed with the celebrated Eyring Kramers law. In this talk, I will justify rigorously this approximation.

Documents de présentation

Aucun document.