activity
20062023
most citedEnhanced sampling methods for molecular dynamics simulations

357 citations · 1.7k across the 74 of their papers we have counts for

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Showing 2013Show all

7 papers · 1 filter

math-ph2013

Macroscopic limit of a one-dimensional model for aging fluids

David Benoit, Claude Le Bris, Tony Lelièvre

We study a one-dimensional equation arising in the multiscale modeling of some non-Newtonian fluids. At a given shear rate, the equation provides the instantaneous mesoscopic respo…

cond-mat.stat-mech2013★ 22 cited

Free energy calculations from adaptive molecular dynamics simulations with adiabatic reweighting

Lingling Cao, Gabriel Stoltz, Tony Lelièvre +2

We propose an adiabatic reweighting algorithm for computing the free energy along an external parameter from adaptive molecular dynamics simulations. The adaptive bias is estimated…

math.AP2013

A non linear approximation method for solving high dimensional partial differential equations: Application in Finance

José Arturo Infante Acevedo, Tony Lelievre

We study an algorithm which has been proposed by Chinesta et al. to solve high-dimensional partial differential equations. The idea is to represent the solution as a sum of tensor…

math.AP2013★ 27 cited

Low temperature asymptotics for Quasi-Stationary Distributions in a bounded domain

Tony Lelièvre, Francis Nier

We analyze the low temperature asymptotics of the quasi-stationary distribution associated with the overdamped Langevin dynamics (a.k.a. the Einstein-Smoluchowski diffusion equatio…

math.NA2013

A nonintrusive method to approximate linear systems with nonlinear parameter dependence

Fabien Casenave, Alexandre Ern, Tony Lelièvre +1

We consider a family of linear systems with system matrix depending on a parameter and for simplicity parameter-independent right-hand side . These linear sys…

math-ph2013★ 21 cited

Mathematical Analysis of Temperature Accelerated Dynamics

David Aristoff, Tony Lelièvre

We give a mathematical framework for temperature accelerated dynamics (TAD), an algorithm proposed by M.R. Sørensen and A.F. Voter to efficiently generate metastable stochastic dyn…