Tony Lelièvre

Présentation

Publications

Article dans une revue (103)

Unbiasing Hamiltonian Monte Carlo algorithms for a general Hamiltonian function Tony Lelièvre,Régis Santet,Gabriel Stoltz Foundations of Computational Mathematics, 2026, 26, pp.1-74. ⟨10.1007/s10208-024-09677-4⟩ Article dans une revue hal-04050146v1
Optimizing the diffusion coefficient of overdamped Langevin dynamics Tony Lelièvre,Grigorios A. Pavliotis,Geneviève Robin,Régis Santet,Gabriel Stoltz Mathematics of Computation, 2025, ⟨10.1090/mcom/4098⟩ Article dans une revue hal-04568317v1
Eyring-Kramers exit rates for the overdamped Langevin dynamics: the case with saddle points on the boundary Tony Lelièvre,Dorian Le Peutrec,Boris Nectoux Journal de l'École polytechnique — Mathématiques, 2025, 12, pp.881-982. ⟨10.5802/jep.303⟩ Article dans une revue hal-03728053v1
Influence of sampling on the convergence rates of greedy algorithms for parameter-dependent random variables Mohamed-Raed Blel,Virginie Ehrlacher,Tony Lelièvre Mathematics of Computation, 2025, ⟨10.1090/mcom/3979⟩ Article dans une revue hal-03238244v2
Sampling metastable systems using collective variables and Jarzynski-Crooks paths Christoph Schönle,Marylou Gabrié,Tony Lelièvre,Gabriel Stoltz Journal of Computational Physics, 2025, 527, pp.113806. ⟨10.1016/j.jcp.2025.113806⟩ Article dans une revue hal-04591706v1
Condensation in Fleming--Viot particle systems with fast selection mechanism Lucas Journel,Tony Lelièvre,Julien Reygner ALEA : Latin American Journal of Probability and Mathematical Statistics, 2025, 22 (2), pp.825. ⟨10.30757/ALEA.v22-33⟩ Article dans une revue hal-04634314v1
Improving sampling by modifying the effective diffusion Tony Lelièvre,Régis Santet,Gabriel Stoltz Journal of Computational Physics, 2025, 541, pp.114313. ⟨10.1016/j.jcp.2025.114313⟩ Article dans une revue hal-04721179v1
Reduced basis method for non-symmetric eigenvalue problems: application to the multigroup neutron diffusion equations Yonah Conjungo Taumhas,Geneviève Dusson,Virginie Ehrlacher,Tony Lelièvre,François Madiot ESAIM: Mathematical Modelling and Numerical Analysis, 2024, 58 (5), pp.1959-1987. ⟨10.1051/m2an/2024055⟩ Article dans une revue cea-04156959v1
Using Witten Laplacians to locate index-1 saddle points Tony Lelièvre,Panos Parpas SIAM Journal on Scientific Computing, 2024, 46 (2), pp.A770-A797. ⟨10.1137/22M1541964⟩ Article dans une revue hal-03909090v1
Estimation of statistics of transitions and Hill relation for Langevin dynamics Tony Lelièvre,Mouad Ramil,Julien Reygner Annales de l'Institut Henri Poincaré (B) Probabilités et Statistiques, 2024, 60 (3), ⟨10.1214/23-AIHP1370⟩ Article dans une revue hal-03659510v4
Analyzing multimodal probability measures with autoencoders Tony Lelièvre,Thomas Pigeon,Gabriel Stoltz,Wei Zhang Journal of Physical Chemistry B, 2024, 128 (11), pp.2607-2631. ⟨10.1021/acs.jpcb.3c07075⟩ Article dans une revue hal-04230596v1
Computing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning and Ab Initio Molecular Dynamics Thomas Pigeon,Gabriel Stoltz,Manuel Corral-Valero,Ani Anciaux-Sedrakian,Maxime Moreaudet al. Journal of Chemical Theory and Computation, 2023, 19 (12), pp.3538-3550. ⟨10.1021/acs.jctc.3c00280⟩ Article dans une revue hal-04190303v1
Multiple projection MCMC algorithms on submanifolds Tony Lelièvre,Gabriel Stoltz,Wei Zhang IMA Journal of Numerical Analysis, 2023, 43 (2), pp.737-788. ⟨10.1093/imanum/drac006⟩ Article dans une revue hal-02515267v1
Autoencoders for dimensionality reduction in molecular dynamics: collective variable dimension, biasing and transition states Zineb Belkacemi,Marc Bianciotto,Hervé Minoux,Tony Lelièvre,Gabriel Stoltzet al. The Journal of Chemical Physics, 2023, 159, pp.024122. ⟨10.1063/5.0151053⟩ Article dans une revue hal-04118079v1
On the Hill relation and the mean reaction time for metastable processes Manon Baudel,Arnaud Guyader,Tony Lelièvre Stochastic Processes and their Applications, 2023, 155, pp.393-436. ⟨10.1016/j.spa.2022.10.014⟩ Article dans une revue hal-02921281v1
Generative methods for sampling transition paths in molecular dynamics Tony Lelièvre,Geneviève Robin,Inass Sekkat,Gabriel Stoltz,Gabriel Victorino Cardoso ESAIM: Proceedings, 2023, 73, pp.238-256. ⟨10.1051/proc/202373238⟩ Article dans une revue hal-03661671v1
Optimal friction matrix for underdamped Langevin sampling Martin Chak,Nikolas Kantas,Tony Lelièvre,Grigorios A Pavliotis ESAIM: Mathematical Modelling and Numerical Analysis, 2023, 57 (6), pp.3335-3371. ⟨10.1051/m2an/2023083⟩ Article dans une revue hal-03455809v1
Combining machine-learned and empirical force fields with the parareal algorithm: application to the diffusion of atomistic defects Olga Gorynina,Frédéric Legoll,Tony Lelièvre,Danny Perez Comptes Rendus. Mécanique, 2023, 351 (S1), pp.479-503. ⟨10.5802/crmeca.220⟩ Article dans une revue hal-03909092v1
Chasing Collective Variables using Autoencoders and biased trajectories Zineb Belkacemi,Paraskevi Gkeka,Tony Lelièvre,Gabriel Stoltz Journal of Chemical Theory and Computation, 2022, 18 (1), pp.59-78. ⟨10.1021/acs.jctc.1c00415⟩ Article dans une revue hal-03207673v1
An adaptive parareal algorithm: application to the simulation of molecular dynamics trajectories Frédéric Legoll,Tony Lelièvre,Upanshu Sharma SIAM Journal on Scientific Computing, 2022, 44 (1), pp.B146-B176. ⟨10.1137/21M1412979⟩ Article dans une revue hal-03189428v2
Mathematical foundations for the Parallel Replica algorithm applied to the underdamped Langevin dynamics Mouad Ramil,Tony Lelièvre,Julien Reygner MRS Communications, 2022, ⟨10.1557/s43579-022-00207-3⟩ Article dans une revue hal-03747075v1
Adaptive force biasing algorithms: new convergence results and tensor approximations of the bias Virginie Ehrlacher,Tony Lelièvre,Pierre Monmarché The Annals of Applied Probability, 2022, 32 (5), ⟨10.1214/21-AAP1775⟩ Article dans une revue hal-02314426v3
A probabilistic study of the kinetic Fokker-Planck equation in cylindrical domains Tony Lelièvre,Mouad Ramil,Julien Reygner Journal of Evolution Equations, 2022, 22 (38), ⟨10.1007/s00028-022-00796-5⟩ Article dans une revue hal-02974421v1
The exit from a metastable state: concentration of the exit point distribution on the low energy saddle points, part 2 Tony Lelièvre,Dorian Le Peutrec,Boris Nectoux Stochastics and Partial Differential Equations: Analysis and Computations, 2022, 10 (1), pp.317-357. ⟨10.1007/s40072-021-00202-0⟩ Article dans une revue hal-03058529v1
Quasi-stationary distribution for the Langevin process in cylindrical domains, part I: existence, uniqueness and long-time convergence Tony Lelièvre,Mouad Ramil,Julien Reygner Stochastic Processes and their Applications, 2022, 144, pp.173-201. ⟨10.1016/j.spa.2021.11.005⟩ Article dans une revue hal-03123442v3
Enhanced sampling methods for molecular dynamics simulations Jérôme Hénin,Tony Lelièvre,Michael Shirts,Omar Valsson,Lucie Delemotte Living Journal of Computational Molecular Science, 2022, 4 (1), ⟨10.33011/livecoms.4.1.1583⟩ Article dans une revue hal-03595710v1
Convergence of metadynamics: discussion of the adiabatic hypothesis Benjamin Jourdain,Tony Lelièvre,Pierre-André Zitt The Annals of Applied Probability, 2021, 31 (5), pp.2441-2477. ⟨10.1214/20-AAP1652⟩ Article dans une revue hal-02104961v1
The exit from a metastable state: Concentration of the exit point distribution on the low energy saddle points, part 1 Giacomo Di Gesù,Tony Lelièvre,Dorian Le Peutrec,Boris Nectoux Journal de Mathématiques Pures et Appliquées, 2020, 138, pp.242-306. ⟨10.1016/j.matpur.2019.06.003⟩ Article dans une revue hal-02383232v2
Analysis of a micro-macro acceleration method with minimum relative entropy moment matching Tony Lelièvre,Giovanni Samaey,Przemysław Zieliński Stochastic Processes and their Applications, 2020, 130 (6), pp.3753-3801. ⟨10.1016/j.spa.2019.10.008⟩ Article dans une revue hal-01680761v1
Parareal computation of stochastic differential equations with time-scale separation: a numerical convergence study Frédéric Legoll,Tony Lelièvre,Keith Myerscough,Giovanni Samaey Computing and Visualization in Science, 2020, 23, pp.9. ⟨10.1007/s00791-020-00329-y⟩ Article dans une revue hal-02421240v1
Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems Paraskevi Gkeka,Gabriel Stoltz,Amir Barati Farimani,Zineb Belkacemi,Michele Ceriottiet al. Journal of Chemical Theory and Computation, 2020, ⟨10.1021/acs.jctc.0c00355⟩ Article dans une revue hal-02544153v1
Local and Global Perspectives on Diffusion Maps in the Analysis of Molecular Systems Zofia Trstanova,Ben Leimkuhler,Tony Lelièvre Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2020, 476 (2233), ⟨10.1098/rspa.2019.0036⟩ Article dans une revue hal-02104963v1
Stochastic homogenization of a scalar viscoelastic model exhibiting stress-strain hysteresis Thomas J. Hudson,Frédéric Legoll,Tony Lelièvre ESAIM: Mathematical Modelling and Numerical Analysis, 2020, 54 (3), pp.879-928. ⟨10.1051/m2an/2019081⟩ Article dans une revue hal-01710772v1
Sharp asymptotics of the first exit point density Giacomo Di Gesù,Tony Lelièvre,Dorian Le Peutrec,Boris Nectoux Annals of PDE, 2019, 5 (1), pp.5. ⟨10.1007/s40818-019-0059-2⟩ Article dans une revue hal-01548737v1
On a new class of score functions to estimate tail probabilities of some stochastic processes with Adaptive Multilevel Splitting Charles-Edouard Bréhier,Tony Lelièvre Chaos: An Interdisciplinary Journal of Nonlinear Science, 2019, 29, pp.033126. ⟨10.1063/1.5081440⟩ Article dans une revue hal-01923385v1
gen.parRep: a first implementation of the Generalized Parallel Replica dynamics for the long time simulation of metastable biochemical systems Florent Hédin,Tony Lelièvre Computer Physics Communications, In press, 239, pp.311-324. ⟨10.1016/j.cpc.2019.01.005⟩ Article dans une revue hal-01832823v1
Pathwise Estimates for Effective Dynamics: The Case of Nonlinear Vectorial Reaction Coordinates Tony Lelièvre,Wei Zhang Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, 2019, 17 (3), pp.1019-1051. ⟨10.1137/18M1186034⟩ Article dans une revue hal-02383239v1
Effective dynamics for non-reversible stochastic differential equations: a quantitative study Frédéric Legoll,Tony Lelièvre,Upanshu Sharma Nonlinearity, 2019, 32 (12), pp.4779-4816. ⟨10.1088/1361-6544/ab34bf⟩ Article dans une revue hal-01883330v1
Analysis of the adaptive multilevel splitting method on the isomerization of alanine dipeptide Laura Lopes,Tony Lelièvre Journal of Computational Chemistry, 2019, 40 (11), pp.1198-1208. ⟨10.1002/jcc.25778⟩ Article dans une revue hal-02383173v1
Hybrid Monte Carlo methods for sampling probability measures on submanifolds Tony Lelièvre,Mathias Rousset,Gabriel Stoltz Numerische Mathematik, 2019, 143 (2), pp.379-421. ⟨10.1007/s00211-019-01056-4⟩ Article dans une revue hal-01832820v1
A non linear approximation method for solving high dimensional partial differential equations: Application in finance José Infante Acevedo,Tony Lelièvre Mathematics and Computers in Simulation, 2018, 143, pp.14-34. ⟨10.1016/j.matcom.2016.07.013⟩ Article dans une revue hal-00861892v2
Central Limit Theorem for stationary Fleming–Viot particle systems in finite spaces Tony Lelièvre,Loucas Pillaud-Vivien,Julien Reygner ALEA : Latin American Journal of Probability and Mathematical Statistics, 2018, 15, pp.1163-1182. ⟨10.30757/ALEA.v15-43⟩ Article dans une revue hal-01812120v2
Convergence and efficiency of adaptive importance sampling techniques with partial biasing Gersende Fort,Benjamin Jourdain,Tony Lelièvre,Gabriel Stoltz Journal of Statistical Physics, 2018, 171 (2), pp.220-268. ⟨10.1007/s10955-018-1992-2⟩ Article dans une revue hal-01389996v1
The Extended Generalized Adaptive Biasing Force Algorithm for Multidimensional Free-Energy Calculations Tanfeng Zhao,Haohao Fu,Tony Lelièvre,Xueguang Shao,Christophe Chipotet al. Journal of Chemical Theory and Computation, 2017, 13 (4), pp.1566 - 1576. ⟨10.1021/acs.jctc.7b00032⟩ Article dans une revue hal-01587011v1
Adaptive multilevel splitting for Monte Carlo particle transport Henri Louvin,Eric Dumonteil,Tony Lelièvre,Mathias Rousset,Cheikh M. Diop EPJ N - Nuclear Sciences & Technologies, 2017, 3, pp.29. ⟨10.1051/epjn/2017022⟩ Article dans une revue cea-01794118v1
Smoothed Biasing Forces Yield Unbiased Free Energies with the Extended-System Adaptive Biasing Force Method Adrien Lesage,Tony Lelièvre,Gabriel Stoltz,Jérôme Hénin Journal of Physical Chemistry B, 2017, 121 (15), pp.3676-3685. ⟨10.1021/acs.jpcb.6b10055⟩ Article dans une revue hal-01423958v1
Pathwise estimates for an effective dynamics Frédéric Legoll,Tony Lelièvre,Stefano Olla Stochastic Processes and their Applications, 2017, 127 (9), pp.2841-2863. ⟨10.1016/j.spa.2017.01.001⟩ Article dans une revue hal-01314221v1
Computation of sensitivities for the invariant measure of a parameter dependent diffusion Roland Assaraf,Benjamin Jourdain,Tony Lelièvre,Raphaël Roux Stochastics and Partial Differential Equations: Analysis and Computations, 2017, June 2018, 6 (2), pp.125-183. ⟨10.1007/s40072-017-0105-6⟩ Article dans une revue hal-01192862v1
Self-Healing Umbrella Sampling: Convergence and efficiency Gersende Fort,Benjamin Jourdain,Tony Lelièvre,Gabriel Stoltz Statistics and Computing, 2017, 27 (1), pp.147-168. ⟨10.1007/s11222-015-9613-2⟩ Article dans une revue hal-01073201v1
Adaptive Multilevel Splitting Method for Molecular Dynamics Calculation of Benzamidine-Trypsin Dissociation Time Ivan Teo,Christopher G. Mayne,Klaus Schulten,Tony Lelièvre Journal of Chemical Theory and Computation, 2016, 12 (6), pp.2983 - 2989. ⟨10.1021/acs.jctc.6b00277⟩ Article dans une revue hal-01389074v1
Jump Markov models and transition state theory: the quasi-stationary distribution approach Giacomo Di Gesù,Tony Lelièvre,Dorian Le Peutrec,Boris Nectoux Faraday Discussions, 2016, 195 (9), pp.469 - 495. ⟨10.1039/C6FD00120C⟩ Article dans une revue hal-01314233v1
Variance Reduction Using Nonreversible Langevin Samplers Andrew B. Duncan,Tony Lelièvre,Grigorios A. Pavliotis Journal of Statistical Physics, 2016, 163 (3), pp.457 - 491. ⟨10.1007/s10955-016-1491-2⟩ Article dans une revue hal-01164466v1
Variants of the Empirical Interpolation Method: Symmetric formulation, choice of norms and rectangular extension Fabien Casenave,Alexandre Ern,Tony Lelièvre Applied Mathematics Letters, 2016, 56, pp.23 - 28. ⟨10.1016/j.aml.2015.11.010⟩ Article dans une revue hal-01186039v1
Local and global solution for a nonlocal Fokker–Planck equation related to the adaptive biasing force process Houssam Alrachid,Tony Lelièvre,Raafat Talhouk Journal of Differential Equations, 2016, 260 (9), pp.7032 - 7058. ⟨10.1016/j.jde.2016.01.020⟩ Article dans une revue hal-01244976v1
Partial differential equations and stochastic methods in molecular dynamics Tony Lelièvre,Gabriel Stoltz Acta Numerica, 2016, 25, pp.681-880. ⟨10.1017/S0962492916000039⟩ Article dans une revue istex hal-01334088v1
Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure Ignacio G. Tejada,Laurent Brochard,Tony Lelièvre,Gabriel Stoltz,Frédéric Legollet al. Computer Methods in Applied Mechanics and Engineering, 2016, 305, pp.422 - 440. ⟨10.1016/j.cma.2016.03.011⟩ Article dans une revue hal-01196505v1
Unbiasedness of some generalized adaptive multilevel splitting algorithms Charles-Edouard Bréhier,Maxime Gazeau,Ludovic Goudenège,Tony Lelièvre,Mathias Rousset The Annals of Applied Probability, 2016, 26 (6), pp.3559 - 3601. ⟨10.1214/16-AAP1185⟩ Article dans une revue hal-01142704v1
A generalized parallel replica dynamics Andrew J. Binder,Tony Lelièvre,Gideon Simpson Journal of Computational Physics, 2015, 284, ⟨10.1016/j.jcp.2015.01.002⟩ Article dans une revue hal-00983282v1
Long-time convergence of an adaptive biasing force method: Variance reduction by Helmholtz projection Houssam Alrachid,Tony Lelièvre SMAI Journal of Computational Mathematics, 2015, 1, pp.55 - 82. ⟨10.5802/smai-jcm.4⟩ Article dans une revue hal-01151894v1
Analysis of Adaptive Multilevel Splitting algorithms in an idealized case Charles-Edouard Bréhier,Tony Lelièvre,Mathias Rousset ESAIM: Probability and Statistics, 2015, 19, ⟨10.1051/ps/2014029⟩ Article dans une revue hal-00987297v1
Optimal scaling for the transient phase of the random walk Metropolis algorithm: The mean-field limit Benjamin Jourdain,Tony Lelièvre,Błażej Miasojedow The Annals of Applied Probability, 2015, 25 (4), ⟨10.1214/14-AAP1048⟩ Article dans une revue hal-00748055v1
Convergence of the Wang-Landau algorithm Gersende Fort,Benjamin Jourdain,Estelle Kuhn,Tony Lelièvre,Gabriel Stoltz Mathematics of Computation, 2015, 84 (295), pp.2297-2327. ⟨10.1090/S0025-5718-2015-02952-4⟩ Article dans une revue hal-01238595v1
Low temperature asymptotics for Quasi-Stationary Distributions in a bounded domain Tony Lelièvre,Francis Nier Analysis & PDE, 2015, 8 (3), pp.561-628. ⟨10.2140/apde.2015.8.561⟩ Article dans une revue hal-00862624v1
The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask Jeffrey Comer,James C. Gumbart,Jérôme Hénin,Tony Lelièvre,Andrew Pohorilleet al. Journal of Physical Chemistry B, 2015, 119 (3), pp.1129-1151. ⟨10.1021/jp506633n⟩ Article dans une revue hal-01238593v1
A nonintrusive reduced basis method applied to aeroacoustic simulations Fabien Casenave,Alexandre Ern,Tony Lelièvre Advances in Computational Mathematics, 2014, 41 (5), pp.961 - 986. ⟨10.1007/s10444-014-9365-0⟩ Article dans une revue hal-00934641v1
Efficiency of the Wang-Landau Algorithm: A Simple Test Case Gersende Fort,Benjamin Jourdain,Estelle Kuhn,Tony Lelièvre,Gabriel Stoltz Applied Mathematics Research eXpress, 2014, 2014 (2), pp.275-311. ⟨10.1093/amrx/abu003⟩ Article dans une revue hal-00721886v1
Macroscopic Limit of a One-Dimensional Model for Aging Fluids David Benoit,Claude Le Bris,Tony Lelièvre Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, 2014, 12 (3), pp.1335 - 1378. ⟨10.1137/13094133X⟩ Article dans une revue hal-00873577v1
Optimal scaling for the transient phase of Metropolis Hastings algorithms: the longtime behavior Benjamin Jourdain,Tony Lelièvre,Błażej Miasojedow Bernoulli, 2014, 20 (4), pp.1930-1978 Article dans une revue hal-00768855v1
Mathematical Analysis of Temperature Accelerated Dynamics David Aristoff,Tony Lelièvre Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, 2014, 12 (1), pp.290-317. ⟨10.1137/130923063⟩ Article dans une revue hal-00827263v1
Accurate and online-efficient evaluation of the a posteriori error bound in the reduced basis method Fabien Casenave,Alexandre Ern,Tony Lelièvre ESAIM: Mathematical Modelling and Numerical Analysis, 2014, 48 (1), pp.207-229. ⟨10.1051/m2an/2013097⟩ Article dans une revue hal-00761735v1
The parallel replica method for simulating long trajectories of Markov chains David Aristoff,Tony Lelièvre,Gideon Simpson Applied Mathematics Research eXpress, 2014, 2, pp.332-352. ⟨10.1093/amrx/abu005⟩ Article dans une revue hal-00934516v1
Greedy Algorithms for High-Dimensional Eigenvalue Problems Eric Cancès,Virginie Ehrlacher,Tony Lelièvre Constructive Approximation, 2014, 40 (3), pp.387 - 423. ⟨10.1007/s00365-014-9266-y⟩ Article dans une revue hal-00809855v1
Free energy calculations from adaptive molecular dynamics simulations with adiabatic reweighting Lingling Cao,Gabriel Stoltz,Tony Lelièvre,Mihai-Cosmin Marinica,Manuel Athènes The Journal of Chemical Physics, 2014, 140 (12), pp. 129903 ⟨10.1063/1.4866811⟩ Article dans une revue hal-00870892v1
On the length of one-dimensional reactive paths Frédéric Cérou,Arnaud Guyader,Tony Lelièvre,Florent Malrieu ALEA : Latin American Journal of Probability and Mathematical Statistics, 2013, 10 (1), pp.359-389 Article dans une revue hal-00704704v1
A micro-macro parareal algorithm: application to singularly perturbed ordinary differential equations Frédéric Legoll,Tony Lelièvre,Giovanni Samaey SIAM Journal on Scientific Computing, 2013, 35 (4), pp.A1951-A1986. ⟨10.1137/120872681⟩ Article dans une revue hal-00691939v1
Greedy algorithms for high-dimensional non-symmetric linear problems Eric Cancès,Virginie Ehrlacher,Tony Lelièvre ESAIM: Proceedings and Surveys, 2013, CANUM 2012, 41e Congrès National d'Analyse Numérique 41, pp.95 - 131. ⟨10.1051/proc/201341005⟩ Article dans une revue hal-00745611v1
Optimal non-reversible linear drift for the convergence to equilibrium of a diffusion Tony Lelièvre,Francis Nier,Grigorios A. Pavliotis Journal of Statistical Physics, 2013, 152 (2), pp.237-274. ⟨10.1007/s10955-013-0769-x⟩ Article dans une revue hal-00761688v1
Mathematical analysis of a one-dimensional model for an aging fluid David Benoit,Lingbing He,Claude Le Bris,Tony Lelièvre Mathematical Models and Methods in Applied Sciences, 2013, pp.1561-1602. ⟨10.1142/S0218202513500164⟩ Article dans une revue hal-00676678v1
Derivation of Langevin Dynamics in a nonzero Background Flow Field Matthew Dobson,Frédéric Legoll,Tony Lelièvre,Gabriel Stoltz ESAIM: Mathematical Modelling and Numerical Analysis, 2013, 47 (6), pp.1583-1626. ⟨10.1051/m2an/2013077⟩ Article dans une revue hal-00680278v1
Free Energy Methods for Bayesian Inference: Efficient Exploration of Univariate Gaussian Mixture Posteriors Nicolas Chopin,Tony Lelièvre,Gabriel Stoltz Statistics and Computing, 2012, 22 (4), pp.897-916. ⟨10.1007/s11222-011-9257-9⟩ Article dans une revue hal-00460914v1
Periodic long-time behaviour for an approximate model of nematic polymers Lingbing He,Claude Le Bris,Tony Lelièvre Kinetic and Related Models , 2012, 5 (2), pp.357-382. ⟨10.3934/krm.2012.5.357⟩ Article dans une revue inria-00609763v1
Numerical study of a thin liquid film flowing down an inclined wavy plane Alexandre Ern,Rémi Joubaud,Tony Lelièvre Physica D: Nonlinear Phenomena, 2011, 240 (21), pp.1714-1723. ⟨10.1016/j.physd.2011.07.007⟩ Article dans une revue hal-00533000v2
A numerical closure approach for kinetic models of polymeric fluids: Exploring closure relations for FENE dumbbells Giovanni Samaey,Tony Lelièvre,Vincent Legat Computers and Fluids, 2011, 43 (1), pp.119-133. ⟨10.1016/j.compfluid.2010.06.023⟩ Article dans une revue hal-00654570v1
Convergence of a greedy algorithm for high-dimensional convex nonlinear problems Eric Cancès,Virginie Ehrlacher,Tony Lelièvre Mathematical Models and Methods in Applied Sciences, 2011, 21 (12), pp.2433-2467. ⟨10.1142/S0218202511005799⟩ Article dans une revue hal-00469622v1
Enhanced sampling of multidimensional free-energy landscapes using adaptive biasing forces Chris Chipot,Tony Lelièvre SIAM Journal on Applied Mathematics, 2011, 71 (5), pp.1673-1695. ⟨10.1137/10080600X⟩ Article dans une revue hal-00510981v1
A multiple replica approach to simulate reactive trajectories Frédéric Cérou,Arnaud Guyader,Tony Lelièvre,David Pommier The Journal of Chemical Physics, 2011, 134 (5), 054108 (16 p.). ⟨10.1063/1.3518708⟩ Article dans une revue hal-00506047v1
Long-time convergence of an Adaptive Biasing Force method: the bi-channel case Tony Lelièvre,Kimiya Minoukadeh Archive for Rational Mechanics and Analysis, 2011, 202 (1), pp.1-34. ⟨10.1007/s00205-011-0426-y⟩ Article dans une revue hal-00477302v2
Free energy calculations: An efficient adaptive biasing potential method Bradley M. Dickson,Frédéric Legoll,Tony Lelièvre,Gabriel Stoltz,Paul Fleurat-Lessard Journal of Physical Chemistry B, 2010, 114 (17), pp.5823-5830. ⟨10.1021/jp100926h⟩ Article dans une revue hal-00431332v1
Potential of Mean Force Calculations: A Multiple-Walker Adaptive Biasing Force Approach Kimiya Minoukadeh,Christophe Chipot,Tony Lelièvre Journal of Chemical Theory and Computation, 2010, 6 (4), pp.1008-1017. ⟨10.1021/ct900524t⟩ Article dans une revue hal-00674607v1
A Variance Reduction Method for Parametrized Stochastic Differential Equations using the Reduced Basis Paradigm Sébastien Boyaval,Tony Lelièvre Communications in Mathematical Sciences, 2010, 8 (3), pp.735-762. ⟨10.4310/CMS.2010.v8.n3.a7⟩ Article dans une revue hal-00402702v1
Effective dynamics using conditional expectations Frédéric Legoll,Tony Lelièvre Nonlinearity, 2010, 23 (9), pp.2131-2163. ⟨10.1088/0951-7715/23/9/006⟩ Article dans une revue hal-00399986v1
Beyond multiscale and multiphysics: Multimaths for model coupling Xavier Blanc,Claude Le Bris,Frédéric Legoll,Tony Lelièvre Networks and Heterogeneous Media, 2010, 5 (3), pp.423--460. ⟨10.3934/nhm.2010.5.423⟩ Article dans une revue hal-00524822v1
Existence, uniqueness and convergence of a particle approximation for the Adaptive Biasing Force process Benjamin Jourdain,Tony Lelièvre,Raphaël Roux ESAIM: Mathematical Modelling and Numerical Analysis, 2010, 44 (05), pp.831-865. ⟨10.1051/m2an/2010044⟩ Article dans une revue hal-00370821v2
Reduced basis techniques for stochastic problems Sébastien Boyaval,Claude Le Bris,Tony Lelièvre,Yvon Maday,Ngoc Cuong Nguyenet al. Archives of Computational Methods in Engineering, 2010, 17 (4), pp.435-454. ⟨10.1007/s11831-010-9056-z⟩ Article dans une revue hal-00470522v1
Results and questions on a nonlinear approximation approach for solving high-dimensional partial differential equations Claude Le Bris,Tony Lelièvre,Yvon Maday Constructive Approximation, 2009, 30 (3), pp.621-651. ⟨10.1007/s00365-009-9071-1⟩ Article dans une revue inria-00336911v1
Generalized Navier Boundary Condition and Geometric Conservation Law for surface tension Jean-Frédéric Gerbeau,Tony Lelièvre Computer Methods in Applied Mechanics and Engineering, 2009, 198, pp.644-656. ⟨10.1016/j.cma.2008.09.011⟩ Article dans une revue inria-00542241v1
Conservative stochastic differential equations: Mathematical and numerical analysis Erwan Faou,Tony Lelièvre Mathematics of Computation, 2009, 78 (268), pp.2047-2074. ⟨10.1090/S0025-5718-09-02220-0⟩ Article dans une revue hal-00687269v1
Long-time convergence of an Adaptive Biasing Force method Tony Lelièvre,Mathias Rousset,Gabriel Stoltz Nonlinearity, 2008, 21 (6), pp.1155-1181. ⟨10.1088/0951-7715/21/6/001⟩ Article dans une revue hal-00153946v1
Some remarks on sampling methods in molecular dynamics Frédéric Legoll,Tony Lelièvre,Gabriel Stoltz ESAIM: Proceedings and Surveys, 2008, 22, pp.217-233. ⟨10.1051/proc:072226⟩ Article dans une revue hal-01986848v1
New entropy estimates for the Oldroyd-B model, and related models Dan Hu,Tony Lelièvre Communications in Mathematical Sciences, 2007, 5 (4), pp.909-916. ⟨10.4310/CMS.2007.v5.n4.a9⟩ Article dans une revue hal-00135377v1
An efficient sampling algorithm for variational Monte Carlo. Anthony Scemama,Tony Lelièvre,Gabriel Stoltz,Eric Cancès,Michel Caffarel The Journal of Chemical Physics, 2006, 125 (11), pp.114105. ⟨10.1063/1.2354490⟩ Article dans une revue hal-00875620v1
Modeling and simulation of the industrial production of aluminium : the nonlinear approach Jean-Frédéric Gerbeau,Tony Lelièvre,Claude Le Bris Computers and Fluids, 2004, 33 (5-6), pp.801-814. ⟨10.1016/j.compfluid.2003.06.013⟩ Article dans une revue istex hal-00695952v1
Simulations of MHD flows with moving interfaces Jean-Frédéric Gerbeau,Claude Le Bris,Tony Lelièvre Journal of Computational Physics, 2003, 184 (1), pp.163-191. ⟨10.1016/S0021-9991(02)00025-6⟩ Article dans une revue istex hal-00694626v1

Communication dans un congrès (7)

An Application of Reduced Basis Methods to Core Computation in APOLLO3® Yonah Conjungo Taumhas,François Madiot,Geneviève Dusson,Virginie Ehrlacher,Tony Lelièvre M&C 2023 - International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering, Aug 2023, Niagara Falls, Ontario, Canada Communication dans un congrès cea-04741825v1
Statistical Estimation of the Poincaré constant and Application to Sampling Multimodal Distributions Loucas Pillaud-Vivien,Francis Bach,Tony Lelièvre,Alessandro Rudi,Gabriel Stoltz AISTATS 2020 : 23rd International Conference on Artificial Intelligence and Statistics, Jun 2020, Palermo / Virtual, Italy Communication dans un congrès hal-02327453v3
Détermination et mise en œuvre d’un modèle in vivo pour tester de nouveaux inhibiteurs originaux des LIM kinases, cibles thérapeutiques émergentes dans le cancer Béatrice Vallée,K. Plé,A. Cosson,M. Doudeau,F. Godinet al. Cancéropôle Grand Ouest, Colloque du Réseau Molécules marines, métabolisme et cancer, May 2019, Mansigné, France Communication dans un congrès hal-02928507v1
Combining a reactive potential with a harmonic approximation for molecular dynamics simulation of failure: construction of a reduced potential Ignacio G Tejada,Laurent Brochard,Gabriel Stoltz,Frédéric Legoll,Tony Lelièvreet al. 3rd International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE), Aug 2014, Madrid, Spain. pp.012041, ⟨10.1088/1742-6596/574/1/012041⟩ Communication dans un congrès hal-01095102v1
Statistical Inference for Partial Differential Equations Emmanuel Grenier,Marc Hoffmann,Tony Lelièvre,Violaine Louvet,Clémentine Prieuret al. SMAI 2013 - 6e Biennale Française des Mathématiques Appliquées et Industrielles, May 2013, Seignosse, France. pp.178-188, ⟨10.1051/proc/201445018⟩ Communication dans un congrès hal-01102782v1
Une équation de Langevin pour la simulation à l'échelle atomistique de fluides hors-équilibre Matthew Dobson,Frédéric Legoll,Tony Lelièvre,Gabriel Stoltz 11e colloque national en calcul des structures, CSMA, May 2013, Giens, France Communication dans un congrès hal-01722086v1
Propagation d'incertitudes Tony Lelièvre Journées MAS et Journée en l'honneur de Jacques Neveu, Aug 2010, Talence, France Communication dans un congrès inria-00496681v1

Ouvrages (1)

Free energy computation: a mathematical perspective. Tony Lelièvre,Mathias Rousset,Gabriel Stoltz Imperial College Press, pp.1-472, 2010, 978-1848162471 Ouvrages hal-00781565v1

Chapitre d'ouvrage (6)

Equilibrium and Nonequilibrium Methods for Free-Energy Calculations With Molecular Dynamics Christophe Chipot,Paraskevi Gkeka,Tony Lelièvre,Gabriel Stoltz Comprehensive Computational Chemistry, 3, Elsevier; Elsevier, pp.384-400, 2024, 978-0-12-823256-9. ⟨10.1016/B978-0-12-821978-2.00112-4⟩ Chapitre d'ouvrage hal-04178827v1
Exit event from a metastable state and Eyring-Kramers law for the overdamped Langevin dynamics Tony Lelièvre,Dorian Le Peutrec,Boris Nectoux Stochastic Dynamics Out of Equilibrium. IHPStochDyn 2017., 282, pp.331-363, 2019, Springer Proceedings in Mathematics & Statistics, ⟨10.1007/978-3-030-15096-9_9⟩ Chapitre d'ouvrage hal-01696187v3
Long-Timescale Simulations: Challenges, Pitfalls, Best Practices, for Development and Applications Graeme Henkelman,Hannes Jónsson,Tony Lelièvre,Normand Mousseau,Arthur Voter Handbook of Materials Modeling, Springer International Publishing, pp.1-10, 2018, ⟨10.1007/978-3-319-42913-7_31-1⟩ Chapitre d'ouvrage hal-02385706v1
Mathematical foundations of Accelerated Molecular Dynamics methods Tony Lelièvre Handbook of Materials Modeling, Springer International Publishing, pp.1-32, 2018, ⟨10.1007/978-3-319-42913-7_27-1⟩ Chapitre d'ouvrage hal-01686062v1
Modelling the instabilities in aluminum reduction cells Jean-Frédéric Gerbeau,Claude Le Bris,Tony Lelièvre Lery, T. and Primicerio, M. and Esteban, M.J. and Fontes, M. and Maday, Y. and Mehrmann, V. and Quadros, G. and Schilders, W. and Schuppert, A. and Tewkesbury, H. European success stories in industrial mathematics, Springer, 2012, 978-3-642-23848-2 Chapitre d'ouvrage hal-00860246v1
Some remarks on free energy and coarse-graining Frédéric Legoll,Tony Lelièvre Engquist, Björn; Runborg, Olof; Tsai, Yen-Hsi R. (Eds.). Numerical analysis and multiscale computations, Springer, 420 p., 2012, Series: Lecture Notes in Computational Science and Engineering, Vol. 82 Chapitre d'ouvrage hal-00511221v1

Pré-publication, Document de travail (16)

Convergence rates for an Adaptive Biasing Potential scheme from a Wasserstein optimization perspective Tony Lelièvre,Xuyang Lin,Pierre Monmarché 2025 Pré-publication, Document de travail hal-04925966v1
Efficient Monte-Carlo sampling of metastable systems using non-local collective variable updates Christoph Schönle,Davide Carbone,Marylou Gabrié,Tony Lelièvre,Gabriel Stoltz 2025 Pré-publication, Document de travail hal-05425063v1
Quantitative low-temperature spectral asymptotics for reversible diffusions in temperature-dependent domains Noé Blassel,Tony Lelièvre,Gabriel Stoltz 2025 Pré-publication, Document de travail hal-04917900v1
Shape optimization of metastable states Noé Blassel,Tony Lelièvre,Gabriel Stoltz 2025 Pré-publication, Document de travail hal-05168622v1
Quasi-stationary distribution for kinetic SDEs with low regularity coefficients Nicolas Champagnat,Tony Lelièvre,Mouad Ramil,Julien Reygner,Denis Villemonais 2024 Pré-publication, Document de travail hal-04720688v1
A spectral approach to the narrow escape problem in the disk Tony Lelièvre,Mohamad Rachid,Gabriel Stoltz 2024 Pré-publication, Document de travail hal-04539840v1
An Application of Reduced Basis Methods to Core Computation in APOLLO3 ® Yonah Conjungo Taumhas,Geneviève Dusson,Virginie Ehrlacher,Tony Lelièvre,François Madiot 2023 Pré-publication, Document de travail cea-04300495v1
Optimal importance sampling for overdamped Langevin dynamics Martin Chak,Tony Lelièvre,Gabriel Stoltz,Urbain Vaes 2023 Pré-publication, Document de travail hal-04169540v1
ADAPTIVE MULTILEVEL SPLITTING IN MOLECULAR DYNAMICS SIMULATIONS David Aristoff,Tony Lelièvre,Christopher G. Mayne,Ivan Teo 2014 Pré-publication, Document de travail hal-00959109v1
A nonintrusive method to approximate linear systems with nonlinear parameter dependence Fabien Casenave,Alexandre Ern,Tony Lelièvre,Guillaume Sylvand 2013 Pré-publication, Document de travail hal-00845822v1
Two mathematical tools to analyze metastable stochastic processes Tony Lelièvre 2012 Pré-publication, Document de travail hal-00661385v1
Micro-macro models for viscoelastic fluids: modelling, mathematics and numerics Claude Le Bris,Tony Lelièvre 2011 Pré-publication, Document de travail hal-00562325v1
A mathematical formalization of the parallel replica dynamics Claude Le Bris,Tony Lelièvre,Mitchell Luskin,Danny Perez 2011 Pré-publication, Document de travail hal-00596161v1
Langevin dynamics with constraints and computation of free energy differences Tony Lelièvre,Mathias Rousset,Gabriel Stoltz 2010 Pré-publication, Document de travail hal-00495517v1
Diffusion Monte Carlo method: numerical analysis in a simple case Tony Lelièvre,Mohamed El Makrini,Benjamin Jourdain 2007 Pré-publication, Document de travail hal-00136428v1
Computation of free energy profiles with parallel adaptive dynamics Tony Lelièvre,Mathias Rousset,Gabriel Stoltz 2007 Pré-publication, Document de travail hal-00136425v1

Rapport (6)

Mathematical study of non-ideal electrostatic correlations in equilibrium electrolytes Alexandre Ern,Remi Joubaud,Tony Lelièvre 2011 Rapport hal-00654736v1
Generalized Navier Boundary Condition and Geometric Conservation Law for surface tension Jean-Frédéric Gerbeau,Tony Lelièvre [Research Report] RR-6551, INRIA. 2008, pp.32 Rapport (rapport de recherche) inria-00285206v2
Free-energy-dissipative schemes for the Oldroyd-B model Sébastien Boyaval,Tony Lelièvre,Claude Mangoubi [Research Report] RR-6413, INRIA. 2008, pp.53 Rapport (rapport de recherche) inria-00204620v2
Multiscale modelling of complex fluids: A mathematical initiation. Claude Le Bris,Tony Lelièvre [Research Report] RR-6275, INRIA. 2007 Rapport (rapport de recherche) inria-00165171v3
Variational formulation of the Generalized Navier Boundary Condition. Jean-Frédéric Gerbeau,Tony Lelièvre [Research Report] 2006, pp.17 Rapport (rapport de recherche) inria-00081751v1
Simulations of MHD Flows with Moving Interfaces Jean-Frédéric Gerbeau,Claude Le Bris,Tony Lelièvre [Research Report] RR-4277, INRIA. 2001 Rapport (rapport de recherche) inria-00072310v1

Thèse (1)

Modèles multi-échelles pour les fluides viscoélastiques Tony Lelièvre Modélisation et simulation. Ecole des Ponts ParisTech, 2004. Français. ⟨NNT : ⟩ Thèse tel-00006797v1

HDR (1)

Analyse mathématique et numérique de modèles pour les matériaux, de l'échelle microscopique à l'échelle macroscopique Tony Lelièvre Mathématiques [math]. Université Paris Dauphine - Paris IX, 2009 HDR tel-00392808v1