Tony Lelièvre

141
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Publications

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

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

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

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
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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

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

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
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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
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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

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
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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 et al.

Journal of Chemical Theory and Computation, 2023, 19 (12), pp.3538-3550. ⟨10.1021/acs.jctc.3c00280⟩

Article dans une revue hal-04190303v1

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

Zineb Belkacemi , Marc Bianciotto , Hervé Minoux , Tony Lelièvre , Gabriel Stoltz et 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
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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
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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
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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
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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
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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

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

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
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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
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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
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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 Ceriotti et 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
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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
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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

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

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
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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
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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
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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

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

Tanfeng Zhao , Haohao Fu , Tony Lelièvre , Xueguang Shao , Christophe Chipot et al.

Journal of Chemical Theory and Computation, 2017, 13 (4), pp.1566 - 1576. ⟨10.1021/acs.jctc.7b00032⟩

Article dans une revue hal-01587011v1
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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
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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

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

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

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

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
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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 Legoll et 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
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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
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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
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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
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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 et al.

Journal of Physical Chemistry B, 2015, 119 (3), pp.1129-1151. ⟨10.1021/jp506633n⟩

Article dans une revue hal-01238593v1

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

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

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

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

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

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

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

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

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
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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
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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

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

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

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

Reduced basis techniques for stochastic problems

Sébastien Boyaval , Claude Le Bris , Tony Lelièvre , Yvon Maday , Ngoc Cuong Nguyen et 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
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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

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

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

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
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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
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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
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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

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
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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. Godin et al.

Cancéropôle Grand Ouest, Colloque du Réseau Molécules marines, métabolisme et cancer, May 2019, Mansigné, France

Communication dans un congrès hal-02928507v1
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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 et 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
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Statistical Inference for Partial Differential Equations

Emmanuel Grenier , Marc Hoffmann , Tony Lelièvre , Violaine Louvet , Clémentine Prieur et 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
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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
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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

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
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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

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

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

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
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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
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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
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Optimal importance sampling for overdamped Langevin dynamics

Martin Chak , Tony Lelièvre , Gabriel Stoltz , Urbain Vaes

2023

Pré-publication, Document de travail hal-04169540v1
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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

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

Micro-macro models for viscoelastic fluids: modelling, mathematics and numerics

Claude Le Bris , Tony Lelièvre

2011

Pré-publication, Document de travail hal-00562325v1

Langevin dynamics with constraints and computation of free energy differences

Tony Lelièvre , Mathias Rousset , Gabriel Stoltz

2010

Pré-publication, Document de travail hal-00495517v1
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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
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Modèles multi-échelles pour les fluides viscoélastiques

Tony Lelièvre

Modélisation et simulation. Ecole des Ponts ParisTech, 2004. Français. ⟨NNT : ⟩

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