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LELIEVRE, TONY
LELIEVRE, TONY
Professor of Applied Mathematics, Ecole des Ponts, Institut Polytechnique de Paris, and INRIA
Adresă de e-mail confirmată pe cermics.enpc.fr - Pagina de pornire
Titlu
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Free energy computations: A Mathematical Perspective
T Lelièvre, M Rousset, G Stoltz
Imperial College Press, 2010
653*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
5142015
Mathematical methods for the magnetohydrodynamics of liquid metals
JF Gerbeau, C Le Bris, T Lelièvre
Oxford University Press, 2006
4782006
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
2802022
Partial differential equations and stochastic methods in molecular dynamics
T Lelievre, G Stoltz
Acta Numerica 25, 681-880, 2016
2502016
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
1902020
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
1832010
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
1672013
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
1672004
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
1492012
Variance reduction using nonreversible Langevin samplers
AB Duncan, T Lelievre, GA Pavliotis
Journal of statistical physics 163, 457-491, 2016
1462016
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
1432007
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
1272009
Effective dynamics using conditional expectations
F Legoll, T Lelievre
Nonlinearity 23 (9), 2131, 2010
1192010
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
1132016
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
1132009
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
1132006
A multiple replica approach to simulate reactive trajectories
F Cérou, A Guyader, T Lelievre, D Pommier
The Journal of chemical physics 134 (5), 2011
1122011
Long-time convergence of an adaptive biasing force method
T Lelièvre, M Rousset, G Stoltz
Nonlinearity 21 (6), 1155, 2008
1122008
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