357 citations · 1.7k across the 74 of their papers we have counts for
6 papers · 1 filter
Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure
Ignacio Tejada, Laurent Brochard, Tony Lelievre +3
Molecular dynamics (MD) simulations involving reactive potentials can be used to model material failure. The empirical potentials which are used in such simulations are able to ada…
Computation of sensitivities for the invariant measure of a parameter dependent diffusion
Roland Assaraf, Benjamin Jourdain, Tony Lelièvre +1
We consider the solution to a stochastic differential equation with a drift function which depends smoothly on some real parameter , and admitting a unique invariant measure for…
Variants of the Empirical Interpolation Method: symmetric formulation, choice of norms and rectangular extension
Fabien Casenave, Alexandre Ern, Tony Lelièvre
The Empirical Interpolation Method (EIM) is a greedy procedure that constructs approximate representations of two-variable functions in separated form. In its classical presentatio…
Variance Reduction using Nonreversible Langevin Samplers
A. B. Duncan, T. Lelievre, G. A. Pavliotis
A standard approach to computing expectations with respect to a given target measure is to introduce an overdamped Langevin equation which is reversible with respect to the target…
Long-time convergence of an adaptive biasing force method: Variance reduction by Helmholtz projection
Houssam Alrachid, Tony Lelièvre
In this paper, we propose an improvement of the adaptive biasing force (ABF) method, by projecting the estimated mean force onto a gradient. The associated stochastic process satis…
Accelerated dynamics: Mathematical foundations and algorithmic improvements
Tony Lelièvre
We present a review of recent works on the mathematical analysis of algorithms which have been proposed by A.F. Voter and co-workers in the late nineties in order to efficiently ge…