activity
20052023
most citedMachine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems

230 citations · 1.3k across the 68 of their papers we have counts for

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11 papers · 1 filter

math.NA2023

Extending the regime of linear response with synthetic forcings

Renato Spacek, Gabriel Stoltz

Transport coefficients, such as the mobility, thermal conductivity and shear viscosity, are quantities of prime interest in statistical physics. At the macroscopic level, transport…

math.NA2023

Unbiasing Hamiltonian Monte Carlo algorithms for a general Hamiltonian function

Tony Lelièvre, Régis Santet, Gabriel Stoltz

Hamiltonian Monte Carlo (HMC) is a Markov chain Monte Carlo method that allows to sample high dimensional probability measures. It relies on the integration of the Hamiltonian dyna…

math.NA2022★ 1 cited

Error estimates and variance reduction for nonequilibrium stochastic dynamics

Gabriel Stoltz

Equilibrium properties in statistical physics are obtained by computing averages with respect to Boltzmann-Gibbs measures, sampled in practice using ergodic dynamics such as the La…

math.NA2021

Martingale product estimators for sensitivity analysis in computational statistical physics

Petr Plechac, Gabriel Stoltz, Ting Wang

We introduce a new class of estimators for the linear response of steady states of stochastic dynamics. We generalize the likelihood ratio approach and formulate the linear respons…

math.NA2020★ 6 cited

Multiple projection MCMC algorithms on submanifolds

Tony Lelièvre, Gabriel Stoltz, Wei Zhang

We propose new Markov Chain Monte Carlo algorithms to sample probability distributions on submanifolds, which generalize previous methods by allowing the use of set-valued maps in…

math.NA2019

Convergence of the likelihood ratio method for linear response of non-equilibrium stationary states

Petr Plechac, Gabriel Stoltz, Ting Wang

We consider numerical schemes for computing the linear response of steady-state averages of stochastic dynamics with respect to a perturbation of the drift part of the stochastic d…