G. Stoltz

Most-cited papers

Partial differential equations and stochastic methods in molecular dynamics*
T. Lelièvre, G. Stoltz
2016Acta Numerica228 citations
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The computation of averages from equilibrium and nonequilibrium Langevin molecular dynamics
B. Leimkuhler, Charles Matthews, G. Stoltz
2013188 citations Open access
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Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems
P. Gkeka, G. Stoltz, A. Farimani, Zineb Belkacemi +13 more
2020Journal of Chemical Theory and Computation166 citations Open access
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Smoothed Biasing Forces Yield Unbiased Free Energies with the Extended-System Adaptive Biasing Force Method
Adrien Lesage, T. Lelièvre, G. Stoltz, J. Hénin
2016Journal of Physical Chemistry B141 citations Open access
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Nonlinear Fluctuating Hydrodynamics in One Dimension: The Case of Two Conserved Fields
H. Spohn, G. Stoltz
201488 citations Open access
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Chasing Collective Variables using Autoencoders and biased trajectories
Zineb Belkacemi, P. Gkeka, T. Lelièvre, G. Stoltz
2021Journal of Chemical Theory and Computation81 citations Open access
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Anomalous diffusion for a class of systems with two conserved quantities
C. Bernardin, G. Stoltz
201151 citations Open access
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Spectral methods for Langevin dynamics and associated error estimates
Julien Roussel, G. Stoltz
201744 citations Open access
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Convergence rates for nonequilibrium Langevin dynamics
A. Iacobucci, S. Olla, G. Stoltz
201743 citations Open access
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More on the long time stability of Feynman–Kac semigroups
Gr'egoire Ferr'e, Mathias Rousset, G. Stoltz
2018Stochastics and Partial Differential Equations: Analysis and Computations42 citations Open access
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Hybrid Monte Carlo methods for sampling probability measures on submanifolds
T. Lelièvre, Mathias Rousset, G. Stoltz
2018Numerische Mathematik40 citations Open access
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A mathematical formulation of the random phase approximation for crystals
É. Cancès, G. Stoltz
201137 citations Open access
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Robust determination of maximally localized Wannier functions
É. Cancès, A. Levitt, G. Panati, G. Stoltz
201635 citations Open access
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Permutation-invariant distance between atomic configurations.
Grégoire Ferré, J. Maillet, G. Stoltz
2015Journal of Chemical Physics35 citations Open access
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Negative thermal conductivity of chains of rotors with mechanical forcing.
A. Iacobucci, F. Legoll, S. Olla, G. Stoltz
2011Physical review. E, Statistical, nonlinear, and soft matter physics35 citations Open access
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Hypocoercivity with Schur complements
É. Bernard, Max Fathi, A. Levitt, G. Stoltz
2020Annales Henri Lebesgue33 citations Open access
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Convergence of the Wang-Landau algorithm
G. Fort, B. Jourdain, E. Kuhn, T. Lelièvre +1 more
2012Mathematics of Computation32 citations Open access
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Hypocoercivity properties of adaptive Langevin dynamics
B. Leimkuhler, Matthias Sachs, G. Stoltz
2019SIAM Journal on Applied Mathematics29 citations Open access
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Nonequilibrium Shear Viscosity Computations with Langevin Dynamics
R. Joubaud, G. Stoltz
2011Multiscale Modeling & simulation27 citations Open access
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Cluster dynamics modelling of materials: A new hybrid deterministic/stochastic coupling approach
Pierre Terrier, M. Athènes, T. Jourdan, G. Adjanor +1 more
2016Journal of Computational Physics26 citations Open access
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An accurate scheme to solve cluster dynamics equations using a Fokker-Planck approach
T. Jourdan, G. Stoltz, F. Legoll, L. Monasse
2016Computer Physics Communications26 citations Open access
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Langevin Dynamics With General Kinetic Energies
G. Stoltz, Zofia Trstanova
2016Multiscale Modeling & simulation26 citations Open access
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Error Analysis of Modified Langevin Dynamics
S. Redon, G. Stoltz, Zofia Trstanova
2016Journal of statistical physics25 citations Open access
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Improving dynamical properties of metropolized discretizations of overdamped Langevin dynamics
Max Fathi, G. Stoltz
2015Numerische Mathematik23 citations Open access
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How to Construct Explicit Decay Rates for Kinetic Fokker-Planck Equations?
Giovanni Brigati, G. Stoltz
2023SIAM Journal on Mathematical Analysis21 citations
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Second order quantitative bounds for unadjusted generalized Hamiltonian Monte Carlo
Evan Camrud, A. Durmus, Pierre Monmarché, G. Stoltz
2023arXiv.org21 citations Open access
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Uniform minorization condition and convergence bounds for discretizations of kinetic Langevin dynamics
A. Durmus, Aurélien Enfroy, É. Moulines, G. Stoltz
2021Annales De L Institut Henri Poincare-probabilites Et Statistiques21 citations Open access
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Frequency and field-dependent response of confined electrolytes from Brownian dynamics simulations.
Thê Hoang Ngoc Minh, G. Stoltz, B. Rotenberg
2022Journal of Chemical Physics20 citations Open access
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Correction to: Hybrid Monte Carlo methods for sampling probability measures on submanifolds
T. Lelièvre, Mathias Rousset, G. Stoltz
2019Numerische Mathematik20 citations Open access
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Error estimates on ergodic properties of discretized Feynman–Kac semigroups
Grégoire Ferré, G. Stoltz
2017Numerische Mathematik20 citations Open access
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Weighted L 2-contractivity of Langevin dynamics with singular potentials
Evan Camrud, David P. Herzog, G. Stoltz, M. Gordina
2021Nonlinearity19 citations Open access
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Microscopic calculations of Hugoniot curves of neat triaminotrinitrobenzene (TATB) and of its detonation products.
E. Bourasseau, J. Maillet, N. Desbiens, G. Stoltz
2011Journal of Physical Chemistry A19 citations Open access
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Scaling Limits for the Generalized Langevin Equation
G. Pavliotis, G. Stoltz, U. Vaes
2020Journal of nonlinear science18 citations Open access
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Free energy calculations from adaptive molecular dynamics simulations with adiabatic reweighting.
Lingling Cao, G. Stoltz, T. Lelièvre, M. Marinica +1 more
2013Journal of Chemical Physics17 citations Open access
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DERIVATION OF LANGEVIN DYNAMICS IN A NONZERO BACKGROUND FLOW FIELD
M. Dobson, F. Legoll, T. Lelièvre, G. Stoltz
201217 citations Open access
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Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states.
Zineb Belkacemi, M. Bianciotto, H. Minoux, T. Lelièvre +2 more
2023Journal of Chemical Physics16 citations Open access
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Statistical Estimation of the Poincaré constant and Application to Sampling Multimodal Distributions
Loucas Pillaud-Vivien, Francis R. Bach, T. Lelièvre, Alessandro Rudi +1 more
2019International Conference on Artificial Intelligence and Statistics16 citations
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Self-healing umbrella sampling: convergence and efficiency
G. Fort, B. Jourdain, T. Lelièvre, G. Stoltz
2014Statistics and computing16 citations Open access
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A Perturbative Approach to Control Variates in Molecular Dynamics
Julien Roussel, G. Stoltz
2017Multiscale Modeling & simulation15 citations Open access
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Longtime convergence of the temperature-accelerated molecular dynamics method
G. Stoltz, E. Vanden-Eijnden
2017Nonlinearity15 citations Open access
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Analyzing Multimodal Probability Measures with Autoencoders.
T. Lelièvre, Thomas Pigeon, G. Stoltz, Wei Zhang
2023Journal of Physical Chemistry B14 citations Open access
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Computing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning and Ab Initio Molecular Dynamics.
Thomas Pigeon, G. Stoltz, Manuel Corral-Valero, A. Anciaux-Sedrakian +3 more
2023Journal of Chemical Theory and Computation14 citations Open access
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Large deviations of empirical measures of diffusions in weighted topologies
Gr'egoire Ferr'e, G. Stoltz
202014 citations Open access
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Stable schemes for dissipative particle dynamics with conserved energy
G. Stoltz
2016Journal of Computational Physics14 citations Open access
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A mathematical analysis of the GW0 method for computing electronic excited energies of molecules
É. Cancès, D. Gontier, G. Stoltz
201514 citations Open access
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Generative methods for sampling transition paths in molecular dynamics
T. Lelièvre, Geneviève Robin, Inass Sekkat, G. Stoltz +1 more
2022ESAIM Proceedings and Surveys13 citations Open access
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Martingale product estimators for sensitivity analysis in computational statistical physics
P. Plecháč, G. Stoltz, Ting Wang
2021IMA Journal of Numerical Analysis11 citations Open access
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Stochastic Dynamics Out of Equilibrium
G. Giacomin, S. Olla, E. Saada, H. Spohn +1 more
2019Springer Proceedings in Mathematics & statistics11 citations Open access
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New parallelizable schemes for integrating the Dissipative Particle Dynamics with Energy conservation.
Ahmed-Amine Homman, J. Maillet, Julien Roussel, G. Stoltz
2015Journal of Chemical Physics11 citations Open access
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Multiple projection MCMC algorithms on submanifolds
T. Lelièvre, G. Stoltz, W. Zhang
202010 citations
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