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 2012Show all

11 papers · 1 filter

math.NA2012★ 124 cited

Optimal non-reversible linear drift for the convergence to equilibrium of a diffusion

Tony Lelièvre, Francis Nier, Grigorios A. Pavliotis

We consider non-reversible perturbations of reversible diffusions that do not alter the invariant distribution and we ask whether there exists an optimal perturbation such that the…

stat.ME2012★ 30 cited

Optimal scaling for the transient phase of Metropolis Hastings algorithms: The longtime behavior

Benjamin Jourdain, Tony Lelièvre, Błażej Miasojedow

We consider the Random Walk Metropolis algorithm on with Gaussian proposals, and when the target probability measure is the -fold product of a one-dimensional law…

math.NA2012★ 34 cited

Accurate and efficient evaluation of the a posteriori error estimator in the reduced basis method

Fabien Casenave, Alexandre Ern, Tony Lelièvre

The reduced basis method is a model reduction technique yielding substantial savings of computational time when a solution to a parametrized equation has to be computed for many va…

math.FA2012

Greedy algorithms for high-dimensional non-symmetric linear problems

Eric Cances, Virginie Ehrlacher, Tony Lelievre

In this article, we present a family of numerical approaches to solve high-dimensional linear non-symmetric problems. The principle of these methods is to approximate a function wh…

math.PR2012★ 16 cited

Optimal scaling for the transient phase of the random walk Metropolis algorithm: The mean-field limit

Benjamin Jourdain, Tony Lelièvre, Błażej Miasojedow

We consider the random walk Metropolis algorithm on with Gaussian proposals, and when the target probability measure is the -fold product of a one-dimensional law…

math.PR2012

Convergence of the Wang-Landau algorithm

Gersende Fort, Benjamin Jourdain, Estelle Kuhn +2

We analyze the convergence properties of the Wang-Landau algorithm. This sampling method belongs to the general class of adaptive importance sampling strategies which use the free…