| Free energy computations: A Mathematical Perspective T Lelièvre, M Rousset, G Stoltz Imperial College Press, 2010 | 644* | 2010 |
| The adaptive biasing force method: Everything you always wanted to know but were afraid to ask J Comer, JC Gumbart, J Hénin, T Lelièvre, A Pohorille, C Chipot The Journal of Physical Chemistry B 119 (3), 1129-1151, 2015 | 498 | 2015 |
| Mathematical methods for the magnetohydrodynamics of liquid metals JF Gerbeau, C Le Bris, T Lelièvre Oxford University Press, 2006 | 462 | 2006 |
| Enhanced sampling methods for molecular dynamics simulations J Hénin, T Lelièvre, MR Shirts, O Valsson, L Delemotte Living Journal of Computational Molecular Science 4 (1), 1583, 2022 | 251 | 2022 |
| Partial differential equations and stochastic methods in molecular dynamics T Lelievre, G Stoltz Acta Numerica 25, 681-880, 2016 | 235 | 2016 |
| Reduced basis techniques for stochastic problems S Boyaval, C Le Bris, T Lelievre, Y Maday, NC Nguyen, AT Patera Archives of Computational methods in Engineering 17, 435-454, 2010 | 182 | 2010 |
| 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 | 181 | 2020 |
| Existence of solution for a micro–macro model of polymeric fluid: the FENE model B Jourdain, T Lelievre, C Le Bris Journal of Functional Analysis 209 (1), 162-193, 2004 | 166 | 2004 |
| Optimal non-reversible linear drift for the convergence to equilibrium of a diffusion T Lelievre, F Nier, GA Pavliotis Journal of Statistical Physics 152 (2), 237-274, 2013 | 163 | 2013 |
| A mathematical formalization of the parallel replica dynamics C Le Bris, T Lelievre, M Luskin, D Perez Monte Carlo Methods and Applications 18 (2), 119-146, 2012 | 146 | 2012 |
| Variance reduction using nonreversible Langevin samplers AB Duncan, T Lelievre, GA Pavliotis Journal of statistical physics 163, 457-491, 2016 | 144 | 2016 |
| Computation of free energy profiles with parallel adaptive dynamics T Lelièvre, M Rousset, G Stoltz The Journal of chemical physics 126 (13), 2007 | 141 | 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 | 137 | 2017 |
| Results and questions on a nonlinear approximation approach for solving high-dimensional partial differential equations C Le Bris, T Lelievre, Y Maday Constructive Approximation 30, 621-651, 2009 | 129 | 2009 |
| Effective dynamics using conditional expectations F Legoll, T Lelievre Nonlinearity 23 (9), 2131, 2010 | 117 | 2010 |
| Adaptive multilevel splitting method for molecular dynamics calculation of benzamidine-trypsin dissociation time I Teo, CG Mayne, K Schulten, T Lelièvre Journal of chemical theory and computation 12 (6), 2983-2989, 2016 | 115 | 2016 |
| Generalized Navier boundary condition and geometric conservation law for surface tension JF Gerbeau, T Lelievre Computer Methods in Applied Mechanics and Engineering 198 (5-8), 644-656, 2009 | 113 | 2009 |
| Long-time asymptotics of a multiscale model for polymeric fluid flows B Jourdain, C Le Bris, T Lelièvre, F Otto Archive for Rational Mechanics and Analysis 181, 97-148, 2006 | 113 | 2006 |
| A multiple replica approach to simulate reactive trajectories F Cérou, A Guyader, T Lelievre, D Pommier The Journal of chemical physics 134 (5), 2011 | 112 | 2011 |
| Long-time convergence of an adaptive biasing force method T Lelièvre, M Rousset, G Stoltz Nonlinearity 21 (6), 1155, 2008 | 111 | 2008 |
Gabriel StoltzCERMICS, Ecole des PontsVerified email at cermics.enpc.fr
