Exit event from a metastable state and Eyring-Kramers law for the overdamped Langevin dynamics

Tony Lelièvre (1, 2) , Dorian Le Peutrec (3) , Boris Nectoux (1, 2)

1 CERMICS - Centre d'Enseignement et de Recherche en Mathématiques et Calcul Scientifique
2 MATHERIALS - MATHematics for MatERIALS
3 LM-Orsay - Laboratoire de Mathématiques d'Orsay

In molecular dynamics, several algorithms have been designed over the past few years to accelerate the exit event from a metastable region of the configuration space. Some of them are based on the fact that the exit event from a metastable region is well approximated by a Markov jump process. In this work, we present recent results on the exit event from a metastable region for the overdamped Langevin dynamics obtained in [17, 18, 49]. These results aim in particular at justifying the use of a Markov jump process parametrized by the Eyring-Kramers law to model the exit event from a metastable region.

Mots clés: Exit event; metastability; Eyring-Kramers and overdamped Langevin

Domaines: Mathématiques [math]

Tony Lelièvre, Dorian Le Peutrec, Boris Nectoux. Exit event from a metastable state and Eyring-Kramers law for the overdamped Langevin dynamics. 2018. ⟨hal-01696187v1⟩