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 2014Show all

5 papers · 1 filter

math.PR2014★ 1 cited

Self-Healing Umbrella Sampling: Convergence and efficiency

G. Fort, B. Jourdain, T. Lelievre +1

The Self-Healing Umbrella Sampling (SHUS) algorithm is an adaptive biasing algorithm which has been proposed to efficiently sample a multimodal probability measure. We show that th…

math.PR2014★ 2 cited

Analysis of Adaptive Multilevel Splitting algorithms in an idealized case

Charles-Edouard Bréhier, Tony Lelievre, Mathias Rousset

The Adaptive Multilevel Splitting algorithm is a very powerful and versatile method to estimate rare events probabilities. It is an iterative procedure on an interacting particle s…

math.NA2014★ 32 cited

A Generalized Parallel Replica Dynamics

Andrew Binder, Tony Lelièvre, Gideon Simpson

Metastability is a common obstacle to performing long molecular dynamics simulations. Many numerical methods have been proposed to overcome it. One method is parallel replica dynam…

math.NA2014★ 12 cited

The parallel replica method for simulating long trajectories of Markov chains

David Aristoff, Tony Lelièvre, Gideon Simpson

The parallel replica dynamics, originally developed by A.F. Voter, efficiently simulates very long trajectories of metastable Langevin dynamics. We present an analogous algorithm f…

math.NA2014★ 43 cited

A nonintrusive Reduced Basis Method applied to aeroacoustic simulations

Fabien Casenave, Alexandre Ern, Tony Lelièvre

The Reduced Basis Method can be exploited in an efficient way only if the so-called affine dependence assumption on the operator and right-hand side of the considered problem with…