| Free energy computations: A mathematical perspective T Lelièvre, M Rousset, G Stoltz World Scientific, 2010 | 612* | 2010 |
| Partial differential equations and stochastic methods in molecular dynamics T Lelievre, G Stoltz Acta Numerica 25, 681-880, 2016 | 223 | 2016 |
| 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 | 187 | 2016 |
| 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 | 172 | 2020 |
| 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 | 159 | 2007 |
| Computation of free energy profiles with parallel adaptive dynamics T Lelièvre, M Rousset, G Stoltz The Journal of chemical physics 126 (13), 2007 | 138 | 2007 |
| 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 | 129 | 2017 |
| 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 | 120 | 2006 |
| Long-time convergence of an adaptive biasing force method T Lelièvre, M Rousset, G Stoltz Nonlinearity 21 (6), 1155, 2008 | 108 | 2008 |
| Langevin dynamics with constraints and computation of free energy differences T Lelievre, M Rousset, G Stoltz Mathematics of computation 81 (280), 2071-2125, 2012 | 84 | 2012 |
| 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 | 81 | 2010 |
| Nonlinear fluctuating hydrodynamics in one dimension: the case of two conserved fields H Spohn, G Stoltz Journal of Statistical Physics 160, 861-884, 2015 | 80 | 2015 |
| 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 | 59 | 2021 |
| 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 | 52 | 2007 |
| 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 | 51* | 2012 |
| 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 | 50 | 2006 |
| Hybrid Monte Carlo methods for sampling probability measures on submanifolds T Lelièvre, M Rousset, G Stoltz Numerische Mathematik 143 (2), 379-421, 2019 | 49 | 2019 |
| Anomalous diffusion for a class of systems with two conserved quantities C Bernardin, G Stoltz Nonlinearity 25 (4), 1099, 2012 | 49 | 2012 |
| 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 | 49 | 2011 |
| Convergence of the Wang-Landau algorithm G Fort, B Jourdain, E Kuhn, T Lelièvre, G Stoltz Mathematics of Computation 84 (295), 2297-2327, 2015 | 45 | 2015 |
LELIEVRE, TONYProfessor of Applied Mathematics, Ecole des Ponts ParisTech and INRIA確認したメール アドレス: cermics.enpc.fr
