Séminaire OrléansMathematical tools to study metastability: logarithmic Sobolev inequalities and quasi-stationary distributions
Tony Lelièvre (Ecole des Ponts ParisTech)
Thursday 16 February 2012 14:00 - Orléans - Salle de Séminaire
I will present how to analyze two kinds of numerical algorithms which have been proposed by practitioners to deal with metastable behaviours, in the context of molecular dynamics simulations. The first algorithms are adaptive importance sampling methods, and can be studied by entropy techniques and logarithmic Sobolev inequalities. The second ones are accelerated dynamics algorithms proposed by Arthur Voter (Los Alamos National Laboratory) to sample efficiently metastable dynamics. The quasi stationary distribution is a cornerstone to understand such techniques.