357 citations · 1.7k across the 74 of their papers we have counts for
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cond-mat.stat-mech2006★ 114 cited
Computation of free energy profiles with parallel adaptive dynamics
Tony Lelievre, Mathias Rousset, Gabriel Stoltz
We propose a formulation of adaptive computation of free energy differences, in the ABF or nonequilibrium metadynamics spirit, using conditional distributions of samples of configu…
cond-mat.other2006★ 33 cited
An efficient sampling algorithm for Variational Monte Carlo
Anthony Scemama, Tony Lelièvre, Gabriel Stoltz +2
We propose a new algorithm for sampling the -body density in the Variational Monte Carlo (VMC) framework. This algorithm is based u…
cond-mat.stat-mech2006★ 31 cited
Computation of free energy differences through nonequilibrium stochastic dynamics: the reaction coordinate case
Tony Lelievre, Mathias Rousset, Gabriel Stoltz
The computation of free energy differences through an exponential weighting of out of equilibrium paths (known as the Jarzynski equality) is often used for transitions between stat…