Prati
Gabriel Stoltz
Gabriel Stoltz
CERMICS, Ecole des Ponts
Potvrđena adresa e-pošte na cermics.enpc.fr - Početna stranica
Naslov
Citirano
Citirano
Godina
Free energy computations: A mathematical perspective
T Lelièvre, M Rousset, G Stoltz
World Scientific, 2010
633*2010
Partial differential equations and stochastic methods in molecular dynamics
T Lelievre, G Stoltz
Acta Numerica 25, 681-880, 2016
2502016
The computation of averages from equilibrium and nonequilibrium Langevin molecular dynamics
B Leimkuhler, C Matthews, G Stoltz
IMA Journal of Numerical Analysis 36 (1), 13-79, 2016
2012016
Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems
P Gkeka, G Stoltz, A Barati Farimani, Z Belkacemi, M Ceriotti, JD Chodera, ...
Journal of chemical theory and computation 16 (8), 4757-4775, 2020
1892020
Theoretical and numerical comparison of some sampling methods for molecular dynamics
E Cances, F Legoll, G Stoltz
ESAIM: Mathematical Modelling and Numerical Analysis 41 (2), 351-389, 2007
1592007
Smoothed biasing forces yield unbiased free energies with the extended-system adaptive biasing force method
A Lesage, T Lelièvre, G Stoltz, J Hénin
The Journal of Physical Chemistry B 121 (15), 3676-3685, 2017
1452017
Computation of free energy profiles with parallel adaptive dynamics
T Lelièvre, M Rousset, G Stoltz
The Journal of chemical physics 126 (13), 2007
1412007
The electronic ground-state energy problem: A new reduced density matrix approach
E Cances, G Stoltz, M Lewin
The Journal of chemical physics 125 (6), 2006
1272006
Long-time convergence of an adaptive biasing force method
T Lelièvre, M Rousset, G Stoltz
Nonlinearity 21 (6), 1155, 2008
1122008
Langevin dynamics with constraints and computation of free energy differences
T Lelievre, M Rousset, G Stoltz
Mathematics of computation 81 (280), 2071-2125, 2012
852012
Nonlinear fluctuating hydrodynamics in one dimension: the case of two conserved fields
H Spohn, G Stoltz
Journal of Statistical Physics 160, 861-884, 2015
842015
Free energy calculations: An efficient adaptive biasing potential method
BM Dickson, F Legoll, T Lelievre, G Stoltz, P Fleurat-Lessard
The Journal of Physical Chemistry B 114 (17), 5823-5830, 2010
822010
Chasing collective variables using autoencoders and biased trajectories
Z Belkacemi, P Gkeka, T Lelièvre, G Stoltz
Journal of chemical theory and computation 18 (1), 59-78, 2021
682021
Free energy methods for Bayesian inference: efficient exploration of univariate Gaussian mixture posteriors
N Chopin, T Lelièvre, G Stoltz
Statistics and Computing 22, 897-916, 2012
55*2012
Hybrid Monte Carlo methods for sampling probability measures on submanifolds
T Lelièvre, M Rousset, G Stoltz
Numerische Mathematik 143 (2), 379-421, 2019
512019
The effective local potential method: Implementation for molecules and relation to approximate optimized effective potential techniques
AF Izmaylov, VN Staroverov, GE Scuseria, ER Davidson, G Stoltz, ...
The Journal of chemical physics 126 (8), 2007
512007
An efficient sampling algorithm for variational Monte Carlo
A Scemama, T Lelièvre, G Stoltz, E Cancès, M Caffarel
The Journal of chemical physics 125 (11), 2006
512006
Anomalous diffusion for a class of systems with two conserved quantities
C Bernardin, G Stoltz
Nonlinearity 25 (4), 1099, 2012
502012
Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive
JB Maillet, E Bourasseau, N Desbiens, G Vallverdu, G Stoltz
Europhysics Letters 96 (6), 68007, 2011
492011
Convergence of the Wang-Landau algorithm
G Fort, B Jourdain, E Kuhn, T Lelièvre, G Stoltz
Mathematics of Computation 84 (295), 2297-2327, 2015
482015
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