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Tony Lelièvre

129
Documents

Présentation

cf. version française : [https://cermics.enpc.fr/~lelievre/rapports/cv\_scientifique.pdf](https://cermics.enpc.fr/~lelievre/rapports/cv_scientifique.pdf) ou English version : [https://cermics.enpc.fr/~lelievre/rapports/cv\_scientifique\_ang.pdf](https://cermics.enpc.fr/~lelievre/rapports/cv_scientifique_ang.pdf)

Publications

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 (1), ⟨10.5802/crmeca.220⟩
Article dans une revue hal-03909092v1

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

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 Stoltz
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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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⟩
Article dans une revue hal-04190303v1

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
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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
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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

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

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
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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
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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

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

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

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⟩
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

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

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
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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

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

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

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

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
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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
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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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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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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

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
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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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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
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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

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⟩
Article dans une revue hal-01587011v1

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 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⟩
Article dans une revue hal-01186039v1

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⟩
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
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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

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

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
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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
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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
Journal of Physical Chemistry B, 2015, 119 (3), pp.1129-1151. ⟨10.1021/jp506633n⟩
Article dans une revue 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⟩
Article dans une revue hal-00862624v1
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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

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

Free energy calculations from adaptive molecular dynamics simulations with adiabatic reweighting

Lingling Cao , Gabriel Stoltz , Tony Lelièvre , Mihai-Cosmin Marinica , Manuel Athènes
Journal of Chemical Physics, 2014, 140 (12), pp. 129903 ⟨10.1063/1.4866811⟩
Article dans une revue hal-00870892v1

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

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

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

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

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

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

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 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

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

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

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

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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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

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

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

A multiple replica approach to simulate reactive trajectories

Frédéric Cérou , Arnaud Guyader , Tony Lelièvre , David Pommier
Journal of Chemical Physics, 2011, 134 (5), 054108 (16 p.). ⟨10.1063/1.3518708⟩
Article dans une revue hal-00506047v1

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
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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

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
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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

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⟩
Article dans une revue hal-00470522v1

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

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

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

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

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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An efficient sampling algorithm for variational Monte Carlo.

Anthony Scemama , Tony Lelièvre , Gabriel Stoltz , Eric Cancès , Michel Caffarel
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 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 hal-00694626v1
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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
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
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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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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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⟩
Communication dans un congrès hal-01102782v1
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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

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

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

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

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
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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

Analyzing multimodal probability measures with autoencoders

Tony Lelièvre , Thomas Pigeon , Gabriel Stoltz , Wei Zhang
2023
Pré-publication, Document de travail hal-04230596v1
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Estimation of statistics of transitions and Hill relation for Langevin dynamics

Tony Lelièvre , Mouad Ramil , Julien Reygner
2023
Pré-publication, Document de travail hal-03659510v4

Unbiasing Hamiltonian Monte Carlo algorithms for a general Hamiltonian function

Tony Lelièvre , Régis Santet , Gabriel Stoltz
2023
Pré-publication, Document de travail hal-04050146v1
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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
2023
Pré-publication, Document de travail cea-04156959v1
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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

Using Witten Laplacians to locate index-1 saddle points

Tony Lelièvre , Panos Parpas
2022
Pré-publication, Document de travail hal-03909090v1

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
Pré-publication, Document de travail hal-03728053v1
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Optimal friction matrix for underdamped Langevin sampling

Martin Chak , Nikolas Kantas , Tony Lelièvre , Grigorios A Pavliotis
2021
Pré-publication, Document de travail hal-03455809v1
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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

Periodic long-time behaviour for an approximate model of nematic polymers

Lingbing He , Claude Le Bris , Tony Lelièvre
2011
Pré-publication, Document de travail inria-00609763v1

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

Results and questions on a nonlinear approximation approach for solving high-dimensional partial differential equations

Claude Le Bris , Tony Lelièvre , Yvon Maday
2008
Pré-publication, Document de travail inria-00336911v1

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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Long-time convergence of an Adaptive Biasing Force method

Tony Lelièvre , Felix Otto , Mathias Rousset , Gabriel Stoltz
2007
Pré-publication, Document de travail hal-00153946v1
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New entropy estimates for the Oldroyd-B model, and related models

Dan Hu , Tony Lelièvre
2007
Pré-publication, Document de travail hal-00135377v1
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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
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Modèles multi-échelles pour les fluides viscoélastiques

Tony Lelièvre
Modélisation et simulation. Ecole des Ponts ParisTech, 2004. Français. ⟨NNT : ⟩
Thèse tel-00006797v1