Tony Lelièvre

135

Documents

Presentation

Publications

	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⟩ Journal articles hal-03659510v4
	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⟩ Journal articles hal-03909092v1
	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 Moreaud Journal of Chemical Theory and Computation, 2023, 19 (12), pp.3538-3550. ⟨10.1021/acs.jctc.3c00280⟩ Journal articles hal-04190303v1
	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⟩ Journal articles hal-03661671v1
	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⟩ Journal articles 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 Stoltz The Journal of Chemical Physics, 2023, 159, pp.024122. ⟨10.1063/5.0151053⟩ Journal articles 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⟩ Journal articles hal-02921281v1
	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⟩ Journal articles hal-03058529v1
	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⟩ Journal articles hal-03595710v1
	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⟩ Journal articles hal-03747075v1
	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⟩ Journal articles hal-03189428v2
	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⟩ Journal articles hal-03123442v3
	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⟩ Journal articles 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⟩ Journal articles hal-02974421v1
	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⟩ Journal articles hal-03207673v1
	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⟩ Journal articles hal-02104961v1
	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⟩ Journal articles hal-01710772v1
	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 Ceriotti Journal of Chemical Theory and Computation, 2020, ⟨10.1021/acs.jctc.0c00355⟩ Journal articles hal-02544153v1
	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⟩ Journal articles hal-02421240v1
	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⟩ Journal articles hal-02104963v1
	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⟩ Journal articles hal-01680761v1
	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⟩ Journal articles hal-02383232v2
	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⟩ Journal articles hal-02383239v1
	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⟩ Journal articles hal-01832820v1
	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⟩ Journal articles 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, inPress, 239, pp.311-324. ⟨10.1016/j.cpc.2019.01.005⟩ Journal articles hal-01832823v1
	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⟩ Journal articles 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⟩ Journal articles hal-02383173v1
	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⟩ Journal articles hal-01548737v1
	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⟩ Journal articles hal-01389996v1
	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⟩ Journal articles hal-01812120v2
	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⟩ Journal articles hal-00861892v2
	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⟩ Journal articles hal-01073201v1
	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⟩ Journal articles hal-01314221v1
	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⟩ Journal articles hal-01423958v1
	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⟩ Journal articles cea-01794118v1
	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⟩ Journal articles hal-01192862v1
	The Extended Generalized Adaptive Biasing Force Algorithm for Multidimensional Free-Energy Calculations Tanfeng Zhao , Haohao Fu , Tony Lelièvre , Xueguang Shao , Christophe Chipot Journal of Chemical Theory and Computation, 2017, 13 (4), pp.1566 - 1576. ⟨10.1021/acs.jctc.7b00032⟩ Journal articles hal-01587011v1
	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⟩ Journal articles hal-01244976v1
	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⟩ Journal articles hal-01164466v1
	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⟩ Journal articles hal-01314233v1
	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⟩ Journal articles hal-01389074v1
	Partial differential equations and stochastic methods in molecular dynamics Tony Lelièvre , Gabriel Stoltz Acta Numerica, 2016, 25, pp.681-880. ⟨10.1017/S0962492916000039⟩ Journal articles hal-01334088v1
	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⟩ Journal articles hal-01186039v1
	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⟩ Journal articles hal-01142704v1
	Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure Ignacio G. Tejada , Laurent Brochard , Tony Lelièvre , Gabriel Stoltz , Frédéric Legoll Computer Methods in Applied Mechanics and Engineering, 2016, 305, pp.422 - 440. ⟨10.1016/j.cma.2016.03.011⟩ Journal articles hal-01196505v1
	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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles hal-01238595v1
	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 Pohorille Journal of Physical Chemistry B, 2015, 119 (3), pp.1129-1151. ⟨10.1021/jp506633n⟩ Journal articles hal-01238593v1
	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⟩ Journal articles hal-00862624v1
	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⟩ Journal articles 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⟩ Journal articles hal-01151894v1
	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⟩ Journal articles 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⟩ Journal articles hal-00870892v1
	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⟩ Journal articles hal-00934641v1
	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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles hal-00934516v1
	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⟩ Journal articles hal-00873577v1
	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⟩ Journal articles hal-00721886v1
	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 Journal articles hal-00768855v1
	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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles hal-00680278v1
	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 Journal articles 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⟩ Journal articles hal-00691939v1
	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⟩ Journal articles hal-00460914v1
	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⟩ Journal articles hal-00477302v2
	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⟩ Journal articles hal-00533000v2
	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⟩ Journal articles hal-00510981v1
	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⟩ Journal articles hal-00469622v1
	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⟩ Journal articles hal-00654570v1
	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⟩ Journal articles hal-00506047v1
	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⟩ Journal articles hal-00370821v2
	Reduced basis techniques for stochastic problems Sébastien Boyaval , Claude Le Bris , Tony Lelièvre , Yvon Maday , Ngoc Cuong Nguyen Archives of Computational Methods in Engineering, 2010, 17 (4), pp.435-454. ⟨10.1007/s11831-010-9056-z⟩ Journal articles hal-00470522v1
	Effective dynamics using conditional expectations Frédéric Legoll , Tony Lelièvre Nonlinearity, 2010, 23 (9), pp.2131-2163. ⟨10.1088/0951-7715/23/9/006⟩ Journal articles hal-00399986v1
	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⟩ Journal articles hal-00402702v1
	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⟩ Journal articles hal-00524822v1
	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⟩ Journal articles 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⟩ Journal articles hal-00674607v1
	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⟩ Journal articles 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⟩ Journal articles hal-00687269v1
	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⟩ Journal articles hal-01986848v1
	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⟩ Journal articles 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⟩ Journal articles 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⟩ Journal articles hal-00694626v1

	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 Conference papers 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. Godin Cancéropôle Grand Ouest, Colloque du Réseau Molécules marines, métabolisme et cancer, May 2019, Mansigné, France Conference papers 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 Lelièvre 3rd International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE), Aug 2014, Madrid, Spain. pp.012041, ⟨10.1088/1742-6596/574/1/012041⟩ Conference papers hal-01095102v1
	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 Conference papers hal-01722086v1
	Statistical Inference for Partial Differential Equations Emmanuel Grenier , Marc Hoffmann , Tony Lelièvre , Violaine Louvet , Clémentine Prieur SMAI 2013 - 6e Biennale Française des Mathématiques Appliquées et Industrielles, May 2013, Seignosse, France. pp.178-188, ⟨10.1051/proc/201445018⟩ Conference papers hal-01102782v1
	Propagation d'incertitudes Tony Lelièvre Journées MAS et Journée en l'honneur de Jacques Neveu, Aug 2010, Talence, France Conference papers inria-00496681v1

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

	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⟩ Book sections 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⟩ Book sections hal-01696187v3
	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⟩ Book sections hal-01686062v1
	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⟩ Book sections hal-02385706v1
	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 Book sections 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 Book sections hal-00511221v1

	Improving sampling by modifying the effective diffusion Tony Lelièvre , Régis Santet , Gabriel Stoltz 2024 Preprints, Working Papers, ... hal-04721179v1
	Sampling metastable systems using collective variables and Jarzynski-Crooks paths Christoph Schönle , Marylou Gabrié , Tony Lelièvre , Gabriel Stoltz 2024 Preprints, Working Papers, ... hal-04591706v1
	Condensation in Fleming--Viot particle systems with fast selection mechanism Lucas Journel , Tony Lelièvre , Julien Reygner 2024 Preprints, Working Papers, ... hal-04634314v1
	A spectral approach to the narrow escape problem in the disk Tony Lelièvre , Mohamad Rachid , Gabriel Stoltz 2024 Preprints, Working Papers, ... hal-04539840v1
	Quasi-stationary distribution for kinetic SDEs with low regularity coefficients Nicolas Champagnat , Tony Lelièvre , Mouad Ramil , Julien Reygner , Denis Villemonais 2024 Preprints, Working Papers, ... hal-04720688v1
	Optimizing the diffusion coefficient of overdamped Langevin dynamics Tony Lelièvre , Grigorios A. Pavliotis , Geneviève Robin , Régis Santet , Gabriel Stoltz 2024 Preprints, Working Papers, ... hal-04568317v1
	Optimal importance sampling for overdamped Langevin dynamics Martin Chak , Tony Lelièvre , Gabriel Stoltz , Urbain Vaes 2023 Preprints, Working Papers, ... hal-04169540v1
	Analyzing multimodal probability measures with autoencoders Tony Lelièvre , Thomas Pigeon , Gabriel Stoltz , Wei Zhang 2023 Preprints, Working Papers, ... hal-04230596v1
	An Application of Reduced Basis Methods to Core Computation in APOLLO3 ® Yonah Conjungo Taumhas , Geneviève Dusson , Virginie Ehrlacher , Tony Lelièvre , François Madiot 2023 Preprints, Working Papers, ... cea-04300495v1
	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 2023 Preprints, Working Papers, ... cea-04156959v1
	Unbiasing Hamiltonian Monte Carlo algorithms for a general Hamiltonian function Tony Lelièvre , Régis Santet , Gabriel Stoltz 2023 Preprints, Working Papers, ... hal-04050146v1
	Eyring-Kramers exit rates for the overdamped Langevin dynamics: the case with saddle points on the boundary Tony Lelièvre , Dorian Le Peutrec , Boris Nectoux 2022 Preprints, Working Papers, ... hal-03728053v1
	Using Witten Laplacians to locate index-1 saddle points Tony Lelièvre , Panos Parpas 2022 Preprints, Working Papers, ... hal-03909090v1
	Optimal friction matrix for underdamped Langevin sampling Martin Chak , Nikolas Kantas , Tony Lelièvre , Grigorios A Pavliotis 2021 Preprints, Working Papers, ... hal-03455809v1
	ADAPTIVE MULTILEVEL SPLITTING IN MOLECULAR DYNAMICS SIMULATIONS David Aristoff , Tony Lelièvre , Christopher G. Mayne , Ivan Teo 2014 Preprints, Working Papers, ... hal-00959109v1
	A nonintrusive method to approximate linear systems with nonlinear parameter dependence Fabien Casenave , Alexandre Ern , Tony Lelièvre , Guillaume Sylvand 2013 Preprints, Working Papers, ... hal-00845822v1
	Two mathematical tools to analyze metastable stochastic processes Tony Lelièvre 2012 Preprints, Working Papers, ... hal-00661385v1
	Micro-macro models for viscoelastic fluids: modelling, mathematics and numerics Claude Le Bris , Tony Lelièvre 2011 Preprints, Working Papers, ... hal-00562325v1
	A mathematical formalization of the parallel replica dynamics Claude Le Bris , Tony Lelièvre , Mitchell Luskin , Danny Perez 2011 Preprints, Working Papers, ... hal-00596161v1
	Periodic long-time behaviour for an approximate model of nematic polymers Lingbing He , Claude Le Bris , Tony Lelièvre 2011 Preprints, Working Papers, ... inria-00609763v1
	Langevin dynamics with constraints and computation of free energy differences Tony Lelièvre , Mathias Rousset , Gabriel Stoltz 2010 Preprints, Working Papers, ... hal-00495517v1
	Results and questions on a nonlinear approximation approach for solving high-dimensional partial differential equations Claude Le Bris , Tony Lelièvre , Yvon Maday 2008 Preprints, Working Papers, ... inria-00336911v1
	Long-time convergence of an Adaptive Biasing Force method Tony Lelièvre , Felix Otto , Mathias Rousset , Gabriel Stoltz 2007 Preprints, Working Papers, ... hal-00153946v1
	Computation of free energy profiles with parallel adaptive dynamics Tony Lelièvre , Mathias Rousset , Gabriel Stoltz 2007 Preprints, Working Papers, ... hal-00136425v1
	New entropy estimates for the Oldroyd-B model, and related models Dan Hu , Tony Lelièvre 2007 Preprints, Working Papers, ... hal-00135377v1
	Diffusion Monte Carlo method: numerical analysis in a simple case Tony Lelièvre , Mohamed El Makrini , Benjamin Jourdain 2007 Preprints, Working Papers, ... hal-00136428v1

	Mathematical study of non-ideal electrostatic correlations in equilibrium electrolytes Alexandre Ern , Remi Joubaud , Tony Lelièvre 2011 Reports 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 Reports 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 Reports inria-00204620v2
	Multiscale modelling of complex fluids: A mathematical initiation. Claude Le Bris , Tony Lelièvre [Research Report] RR-6275, INRIA. 2007 Reports inria-00165171v3
	Variational formulation of the Generalized Navier Boundary Condition. Jean-Frédéric Gerbeau , Tony Lelièvre [Research Report] 2006, pp.17 Reports inria-00081751v1
	Simulations of MHD Flows with Moving Interfaces Jean-Frédéric Gerbeau , Claude Le Bris , Tony Lelièvre [Research Report] RR-4277, INRIA. 2001 Reports inria-00072310v1

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

	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 Habilitation à diriger des recherches tel-00392808v1

Tony Lelièvre

Presentation

Publications

Estimation of statistics of transitions and Hill relation for Langevin dynamics

Combining machine-learned and empirical force fields with the parareal algorithm: application to the diffusion of atomistic defects

Computing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning and Ab Initio Molecular Dynamics

Generative methods for sampling transition paths in molecular dynamics

Multiple projection MCMC algorithms on submanifolds

Autoencoders for dimensionality reduction in molecular dynamics: collective variable dimension, biasing and transition states

On the Hill relation and the mean reaction time for metastable processes

The exit from a metastable state: concentration of the exit point distribution on the low energy saddle points, part 2

Enhanced sampling methods for molecular dynamics simulations

Mathematical foundations for the Parallel Replica algorithm applied to the underdamped Langevin dynamics

An adaptive parareal algorithm: application to the simulation of molecular dynamics trajectories

Quasi-stationary distribution for the Langevin process in cylindrical domains, part I: existence, uniqueness and long-time convergence

Adaptive force biasing algorithms: new convergence results and tensor approximations of the bias

A probabilistic study of the kinetic Fokker-Planck equation in cylindrical domains

Chasing Collective Variables using Autoencoders and biased trajectories

Convergence of metadynamics: discussion of the adiabatic hypothesis

Stochastic homogenization of a scalar viscoelastic model exhibiting stress-strain hysteresis

Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems

Parareal computation of stochastic differential equations with time-scale separation: a numerical convergence study

Local and Global Perspectives on Diffusion Maps in the Analysis of Molecular Systems

Analysis of a micro-macro acceleration method with minimum relative entropy moment matching

The exit from a metastable state: Concentration of the exit point distribution on the low energy saddle points, part 1

Pathwise Estimates for Effective Dynamics: The Case of Nonlinear Vectorial Reaction Coordinates

Hybrid Monte Carlo methods for sampling probability measures on submanifolds

On a new class of score functions to estimate tail probabilities of some stochastic processes with Adaptive Multilevel Splitting

gen.parRep: a first implementation of the Generalized Parallel Replica dynamics for the long time simulation of metastable biochemical systems

Effective dynamics for non-reversible stochastic differential equations: a quantitative study

Analysis of the adaptive multilevel splitting method on the isomerization of alanine dipeptide

Sharp asymptotics of the first exit point density

Convergence and efficiency of adaptive importance sampling techniques with partial biasing

Central Limit Theorem for stationary Fleming–Viot particle systems in finite spaces

A non linear approximation method for solving high dimensional partial differential equations: Application in finance

Self-Healing Umbrella Sampling: Convergence and efficiency

Pathwise estimates for an effective dynamics

Smoothed Biasing Forces Yield Unbiased Free Energies with the Extended-System Adaptive Biasing Force Method

Adaptive multilevel splitting for Monte Carlo particle transport

Computation of sensitivities for the invariant measure of a parameter dependent diffusion

The Extended Generalized Adaptive Biasing Force Algorithm for Multidimensional Free-Energy Calculations

Local and global solution for a nonlocal Fokker–Planck equation related to the adaptive biasing force process

Variance Reduction Using Nonreversible Langevin Samplers

Jump Markov models and transition state theory: the quasi-stationary distribution approach

Adaptive Multilevel Splitting Method for Molecular Dynamics Calculation of Benzamidine-Trypsin Dissociation Time

Partial differential equations and stochastic methods in molecular dynamics

Variants of the Empirical Interpolation Method: Symmetric formulation, choice of norms and rectangular extension

Unbiasedness of some generalized adaptive multilevel splitting algorithms

Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure

Analysis of Adaptive Multilevel Splitting algorithms in an idealized case

Optimal scaling for the transient phase of the random walk Metropolis algorithm: The mean-field limit

Convergence of the Wang-Landau algorithm

The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask

Low temperature asymptotics for Quasi-Stationary Distributions in a bounded domain

A generalized parallel replica dynamics

Long-time convergence of an adaptive biasing force method: Variance reduction by Helmholtz projection

Greedy Algorithms for High-Dimensional Eigenvalue Problems

Free energy calculations from adaptive molecular dynamics simulations with adiabatic reweighting

A nonintrusive reduced basis method applied to aeroacoustic simulations

Mathematical Analysis of Temperature Accelerated Dynamics

Accurate and online-efficient evaluation of the a posteriori error bound in the reduced basis method

The parallel replica method for simulating long trajectories of Markov chains

Macroscopic Limit of a One-Dimensional Model for Aging Fluids

Efficiency of the Wang-Landau Algorithm: A Simple Test Case

Optimal scaling for the transient phase of Metropolis Hastings algorithms: the longtime behavior

Greedy algorithms for high-dimensional non-symmetric linear problems

Optimal non-reversible linear drift for the convergence to equilibrium of a diffusion

Mathematical analysis of a one-dimensional model for an aging fluid

Derivation of Langevin Dynamics in a nonzero Background Flow Field

On the length of one-dimensional reactive paths

A micro-macro parareal algorithm: application to singularly perturbed ordinary differential equations

Free Energy Methods for Bayesian Inference: Efficient Exploration of Univariate Gaussian Mixture Posteriors

Long-time convergence of an Adaptive Biasing Force method: the bi-channel case

Numerical study of a thin liquid film flowing down an inclined wavy plane

Enhanced sampling of multidimensional free-energy landscapes using adaptive biasing forces

Convergence of a greedy algorithm for high-dimensional convex nonlinear problems

A numerical closure approach for kinetic models of polymeric fluids: Exploring closure relations for FENE dumbbells

A multiple replica approach to simulate reactive trajectories

Existence, uniqueness and convergence of a particle approximation for the Adaptive Biasing Force process

Reduced basis techniques for stochastic problems