Publications

Publications HAL de la structure 454655;2429;241874

2019

Journal articles

ref_biblio
Xavier Blanc, Marc Josien, Claude Le Bris. Precised approximations in elliptic homogenization beyond the periodic setting. Asymptotic Analysis, IOS Press, 2019, ⟨10.3233/ASY-191537⟩. ⟨hal-01958207⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01958207/file/article.pdf BibTex
ref_biblio
Robert Benda, Eric Cancès, Bérengère Lebental. Effective resistance of random percolating networks of stick nanowires: Functional dependence on elementary physical parameters. Journal of Applied Physics, American Institute of Physics, 2019, 126 (4), pp.044306. ⟨10.1063/1.5108575⟩. ⟨hal-02281362⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-02281362/file/1904.04369_BENDA.pdf BibTex
ref_biblio
Grégoire Ferré, Gabriel Stoltz. Error estimates on ergodic properties of discretized Feynman-Kac semigroups. Numerische Mathematik, Springer Verlag, 2019, 143 (2), pp.261-313. ⟨10.1007/s00211-019-01059-1⟩. ⟨hal-01690532⟩
Accès au bibtex
https://arxiv.org/pdf/1712.04013 BibTex
ref_biblio
Tony Lelièvre, Mathias Rousset, Gabriel Stoltz. Hybrid Monte Carlo methods for sampling probability measures on submanifolds. Numerische Mathematik, Springer Verlag, 2019, 143 (2), pp.379-421. ⟨10.1007/s00211-019-01056-4⟩. ⟨hal-01832820⟩
Accès au bibtex
https://arxiv.org/pdf/1807.02356 BibTex
ref_biblio
Thomas Boiveau, Virginie Ehrlacher, Alexandre Ern, Anthony Nouy. Low-rank approximation of linear parabolic equations by space-time tensor Galerkin methods. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2019, 53 (2), pp.635-658. ⟨10.1051/m2an/2018073⟩. ⟨hal-01668316v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01668316/file/paper_rev_hal.pdf BibTex
ref_biblio
Alessandra Iacobucci, Stefano Olla, Gabriel Stoltz. Convergence rates for nonequilibrium Langevin dynamics. Annales mathématiques du Québec, Springer, 2019, 43 (1), pp.73-98. ⟨10.1007/s40316-017-0091-0⟩. ⟨hal-01467131⟩
Accès au bibtex
https://arxiv.org/pdf/1702.03685 BibTex
ref_biblio
Horia Cornean, David Gontier, Antoine Levitt, Domenico Monaco. Localised Wannier functions in metallic systems. Annales Henri Poincaré, Springer Verlag, 2019, ⟨10.1007/s00023-019-00767-6⟩. ⟨hal-01671848⟩
Accès au bibtex
https://arxiv.org/pdf/1712.07954 BibTex
ref_biblio
Julien Roussel, Gabriel Stoltz. A perturbative approach to control variates in molecular dynamics. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2019, 17 (1), pp.552-591. ⟨10.1137/18M1171047⟩. ⟨hal-01709265⟩
Accès au bibtex
https://arxiv.org/pdf/1712.08022 BibTex
ref_biblio
David Gontier, Antoine Levitt, Sami Siraj-Dine. Numerical construction of Wannier functions through homotopy. Journal of Mathematical Physics, American Institute of Physics (AIP), 2019, ⟨10.1063/1.5085753⟩. ⟨hal-01955842⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01955842/file/main.pdf BibTex
ref_biblio
Djalil Chafaï, Grégoire Ferré. Simulating Coulomb gases and log-gases with hybrid Monte Carlo algorithms. Journal of Statistical Physics, Springer Verlag, 2019, 174 (3), pp.692-714. ⟨10.1007/s10955-018-2195-6⟩. ⟨hal-01818268⟩
Accès au bibtex
https://arxiv.org/pdf/1806.05985 BibTex
ref_biblio
Benjamin Stamm, Louis Lagardère, Giovanni Scalmani, Paolo Gatto, Eric Cancès, et al.. How to make continuum solvation incredibly fast in a few simple steps: a practical guide to the domain decomposition paradigm for the Conductor-like Screening Model Continuum Solvation, Linear Scaling, Domain Decomposition. International Journal of Quantum Chemistry, Wiley, 2019, 119, pp.e25669. ⟨10.1002/qua.25669⟩. ⟨hal-01793770⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01793770/file/make-continuum-solvation%20%283%29.pdf BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll, François Madiot. Multiscale Finite Element methods for advection-dominated problems in perforated domains. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2019, 17 (2), pp.773-825. ⟨10.1137/17M1152048⟩. ⟨hal-01624049⟩
Accès au bibtex
https://arxiv.org/pdf/1710.09331 BibTex
ref_biblio
Charles-Edouard Bréhier, Tony Lelièvre. On a new class of score functions to estimate tail probabilities of some stochastic processes with Adaptive Multilevel Splitting. Chaos, American Institute of Physics, 2019, ⟨10.1063/1.5081440⟩. ⟨hal-01923385⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01923385/file/Brehier-Lelievre.pdf BibTex
ref_biblio
Pierre Cardaliaguet, Claude Le Bris, Panagiotis Souganidis. Perturbation problems in homogenization of hamilton-jacobi equations. Journal de Mathématiques Pures et Appliquées, Elsevier, In press, 117, pp.221-262. ⟨10.1016/j.matpur.2018.03.005⟩. ⟨hal-01435744⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01435744/file/perturbations.pdf BibTex
ref_biblio
Xavier Blanc, Marc Josien, Claude Le Bris. Approximation locale précisée dans des problèmes multi-échelles avec défauts localisés. Comptes Rendus Mathématique, Elsevier Masson, 2019, ⟨10.1016/j.crma.2018.12.005⟩. ⟨hal-01893991v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01893991/file/CRAS.pdf BibTex
ref_biblio
Florent Hédin, Tony Lelièvre. gen.parRep: a first implementation of the Generalized Parallel Replica dynamics for the long time simulation of metastable biochemical systems. Computer Physics Communications, Elsevier, In press, ⟨10.1016/j.cpc.2019.01.005⟩. ⟨hal-01832823⟩
Accès au bibtex
https://arxiv.org/pdf/1807.02431 BibTex
ref_biblio
Frédéric Legoll, Tony Lelièvre, Upanshu Sharma. Effective dynamics for non-reversible stochastic differential equations: a quantitative study. Nonlinearity, IOP Publishing, 2019, 32 (12), pp.4779-4816. ⟨hal-01883330⟩
Accès au bibtex
https://arxiv.org/pdf/1809.10498 BibTex

Conference papers

ref_biblio
Sébastien Brisard, Virginie Ehrlacher. Méthodes MsFEM pour les plaques hétérogènes. CFM 2019 – 24ème Congrès Français de Mécanique, Aug 2019, Brest, France. ⟨hal-02274963⟩
Accès au texte intégral et bibtex
https://hal-enpc.archives-ouvertes.fr/hal-02274963/file/CFM2019-BRISARD-Sebastien-EHRLACHER_Virginie-Article_developpe.pdf BibTex

Preprints, Working Papers, …

ref_biblio
Loucas Pillaud-Vivien, Francis Bach, Tony Lelièvre, Alessandro Rudi, Gabriel Stoltz. Statistical Estimation of the Poincaré constant and Application to Sampling Multimodal Distributions. 2019. ⟨hal-02327453v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-02327453/file/Poincare_estimation.pdf BibTex
ref_biblio
Michael F. Herbst, Maximilian Scheurer, Thomas Fransson, Dirk R. Rehn, Andreas Dreuw. adcc: A versatile toolkit for rapid development of algebraic-diagrammatic construction methods. 2019. ⟨hal-02319517⟩
Accès au bibtex
https://arxiv.org/pdf/1910.07757 BibTex
ref_biblio
Amina Benaceur, Alexandre Ern, Virginie Ehrlacher. A reduced basis method for parametrized variational inequalities applied to contact mechanics. 2019. ⟨hal-02081485v3⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-02081485/file/contact.pdf BibTex
ref_biblio
Virginie Ehrlacher, Damiano Lombardi, Olga Mula, François-Xavier Vialard. Nonlinear model reduction on metric spaces. Application to one-dimensional conservative PDEs in Wasserstein spaces. 2019. ⟨hal-02290431⟩
Accès au bibtex
https://arxiv.org/pdf/1909.06626 BibTex
ref_biblio
Virginie Ehrlacher, Laura Grigori, Damiano Lombardi, Hao Song. Adaptive hierarchical subtensor partitioning for tensor compression. 2019. ⟨hal-02284456⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/hal-02284456/file/preprint.pdf BibTex
ref_biblio
Benedict Leimkuhler, Matthias Sachs, Gabriel Stoltz. Hypocoercivity properties of adaptive Langevin dynamics. 2019. ⟨hal-02273261⟩
Accès au bibtex
https://arxiv.org/pdf/1908.09363 BibTex
ref_biblio
Sébastien Boyaval. Viscoelastic flows with conservation laws. 2019. ⟨hal-02262298⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/hal-02262298/file/svmhal.pdf BibTex
ref_biblio
Ludovic Chamoin, Frédéric Legoll. Goal-oriented error estimation and adaptivity in MsFEM computations. 2019. ⟨hal-02262423⟩
Accès au bibtex
https://arxiv.org/pdf/1908.00367 BibTex
ref_biblio
Djalil Chafaï, Grégoire Ferré, Gabriel Stoltz. Coulomb gases under constraint: some theoretical and numerical results. 2019. ⟨hal-02184896⟩
Accès au bibtex
https://arxiv.org/pdf/1907.05803 BibTex
ref_biblio
Grégoire Ferré, Gabriel Stoltz. Large deviations of the empirical measure of diffusions in fine topologies with applications. 2019. ⟨hal-02164793⟩
Accès au bibtex
https://arxiv.org/pdf/1906.09411 BibTex
ref_biblio
Aurélien Alfonsi, Rafaël Coyaud, Virginie Ehrlacher, Damiano Lombardi. Approximation of Optimal Transport problems with marginal moments constraints. 2019. ⟨hal-02128374⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-02128374/file/MCOT.pdf BibTex
ref_biblio
Eric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík. Guaranteed a posteriori bounds for eigenvalues and eigenvectors: multiplicities and clusters. 2019. ⟨hal-02127954⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-02127954/file/eig_clusters.pdf BibTex
ref_biblio
Benjamin Jourdain, Tony Lelièvre, Pierre-André Zitt. Convergence of metadynamics: discussion of the adiabatic hypothesis. 2019. ⟨hal-02104961⟩
Accès au bibtex
https://arxiv.org/pdf/1904.08667 BibTex
ref_biblio
Zofia Trstanova, Ben Leimkuhler, Tony Lelièvre. Local and Global Perspectives on Diffusion Maps in the Analysis of Molecular Systems. 2019. ⟨hal-02104963⟩
Accès au bibtex
https://arxiv.org/pdf/1901.06936 BibTex
ref_biblio
Judith Berendsen, Martin Burger, Virginie Ehrlacher, Jan-Frederik Pietschmann. Uniqueness of strong solutions and weak-strong stability in a system of cross-diffusion equations. 2019. ⟨hal-01967899⟩
Accès au bibtex
https://arxiv.org/pdf/1812.10711 BibTex

2018

Journal articles

ref_biblio
Tony Lelièvre, Loucas Pillaud-Vivien, Julien Reygner. Central Limit Theorem for stationary Fleming–Viot particle systems in finite spaces. ALEA : Latin American Journal of Probability and Mathematical Statistics, Instituto Nacional de Matemática Pura e Aplicada, 2018, 15, pp.1163-1182. ⟨10.30757/ALEA.v15-43⟩. ⟨hal-01812120v2⟩
Accès au texte intégral et bibtex
https://hal-enpc.archives-ouvertes.fr/hal-01812120/file/clt.pdf BibTex
ref_biblio
Julien Roussel, Gabriel Stoltz. Spectral methods for Langevin dynamics and associated error estimates. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2018, 52 (3), pp.1051-1083. ⟨10.1051/m2an/2017044 ⟩. ⟨hal-01470251⟩
Accès au bibtex
https://arxiv.org/pdf/1702.04718 BibTex
ref_biblio
Grégoire Ferré, Hugo Touchette. Adaptive Sampling of Large Deviations. Journal of Statistical Physics, Springer Verlag, 2018, 172 (6), pp.1525 – 1544. ⟨10.1007/s10955-018-2108-8⟩. ⟨hal-01938825⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01938825/file/1803.11117.pdf BibTex
ref_biblio
Sébastien Boyaval, Alexandre Caboussat, Arwa Mrad, Marco Picasso, Gilles Steiner. A semi-Lagrangian splitting method for the numerical simulation of sediment transport with free surface flows. Computers & Fluids, Elsevier, 2018, 172, pp.384-396. ⟨10.1016/j.compfluid.2018.04.002⟩. ⟨hal-01940147⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík. Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: a unified framework. Numerische Mathematik, Springer Verlag, 2018, 140 (4), pp.1033-1079. ⟨10.1007/s00211-018-0984-0⟩. ⟨hal-01483461v3⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/hal-01483461/file/a_post_Lapl_nonconf.pdf BibTex
ref_biblio
Gabriel Stoltz, Eric Vanden-Eijnden. Longtime convergence of the Temperature-Accelerated Molecular Dynamics Method. Nonlinearity, IOP Publishing, 2018, 31 (8), pp.3748-3769. ⟨10.1088/1361-6544/aac541⟩. ⟨hal-01578911⟩
Accès au bibtex
https://arxiv.org/pdf/1708.08800 BibTex
ref_biblio
Mark Kaercher, Sébastien Boyaval, Martin Grepl, Karen Veroy. Reduced basis approximation and a posteriori error bounds for 4D-Var data assimilation. Optimization and Engineering, Springer Verlag, 2018, 2018 (3), ⟨10.1007/s11081-018-9389-2⟩. ⟨hal-01556304⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/hal-01556304/file/1802.02328.pdf BibTex
ref_biblio
Gabriel Stoltz, Zofia Trstanova. Langevin dynamics with general kinetic energies. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2018, 16 (2), pp.777-806. ⟨10.1137/16M110575X⟩. ⟨hal-01364821⟩
Accès au bibtex
https://arxiv.org/pdf/1609.02891 BibTex
ref_biblio
Gersende Fort, Benjamin Jourdain, Tony Lelièvre, Gabriel Stoltz. Convergence and efficiency of adaptive importance sampling techniques with partial biasing. Journal of Statistical Physics, Springer Verlag, 2018, 171 (2), pp.220-268. ⟨10.1007/s10955-018-1992-2⟩. ⟨hal-01389996⟩
Accès au bibtex
https://arxiv.org/pdf/1610.09194 BibTex
ref_biblio
Cameron Hall, Thomas Hudson, Patrick Meurs. Asymptotic analysis of boundary layers in a repulsive particle system. Acta Applicandae Mathematicae, Springer Verlag, 2018, ⟨10.1007/s10440-017-0119-0⟩. ⟨hal-01398449⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01398449/file/Manuscript-Hall-Hudson-vanMeurs-12Sept2016.pdf BibTex
ref_biblio
Gérôme Faure, Gabriel Stoltz. Stable and accurate schemes for smoothed dissipative particle dynamics. Applied Mathematics and Mechanics, Springer Verlag (Germany), 2018, 39 (1), pp.83-102. ⟨10.1007/s10483-018-2256-8⟩. ⟨hal-01562490⟩
Accès au bibtex
https://arxiv.org/pdf/1707.04232 BibTex
ref_biblio
José Infante Acevedo, Tony Lelièvre. A non linear approximation method for solving high dimensional partial differential equations: Application in finance. Mathematics and Computers in Simulation, Elsevier, 2018, 143, pp.14-34. ⟨10.1016/j.matcom.2016.07.013⟩. ⟨hal-00861892v2⟩
Accès au texte intégral et bibtex
https://hal-enpc.archives-ouvertes.fr/hal-00861892/file/papier_greedy_bs.pdf BibTex
ref_biblio
Ludovic Chamoin, Frédéric Legoll. A posteriori error estimation and adaptive strategy for the control of MsFEM computations. Computer Methods in Applied Mechanics and Engineering, Elsevier, 2018, 336, pp.1-38. ⟨10.1016/j.cma.2018.02.016 ⟩. ⟨hal-01586825⟩
Accès au bibtex
https://arxiv.org/pdf/1709.03624 BibTex
ref_biblio
Amina Benaceur, Virginie Ehrlacher, Alexandre Ern, Sébastien Meunier. A progressive reduced basis/empirical interpolation method for nonlinear parabolic problems. SIAM Journal on Scientific Computing, Society for Industrial and Applied Mathematics, 2018, 40 (5), pp.A2930-A2955. ⟨hal-01599304v4⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01599304/file/draft_article_sisc.pdf BibTex
ref_biblio
Xavier Blanc, Pierre-Louis Lions, Claude Le Bris. On correctors for linear elliptic homogenization in the presence of local defects: the case of advection-diffusion. Journal de Mathématiques Pures et Appliquées, Elsevier, 2018, ⟨10.1016/j.matpur.2018.04.010⟩. ⟨hal-01697105⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01697105/file/BLL-2017-2.pdf BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll, Simon Lemaire. On the best constant matrix approximating an oscillatory matrix-valued coefficient in divergence-form operators. ESAIM: Control, Optimisation and Calculus of Variations, EDP Sciences, 2018, 24 (4), pp.1345-1380. ⟨10.1051/cocv/2017061⟩. ⟨hal-01420187⟩
Accès au bibtex
https://arxiv.org/pdf/1612.05807 BibTex
ref_biblio
Marc Josien, Yves-Patrick Pellegrini, Frédéric Legoll, Claude Le Bris. Fourier-based numerical approximation of the Weertman equation for moving dislocations. International Journal for Numerical Methods in Engineering, Wiley, 2018, Numerical Methods in Engineering, 113 (12), pp.1827-1850. ⟨10.1002/nme.5723⟩. ⟨hal-01510158⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01510158/file/JosienEtAl_arxiv.pdf BibTex

Theses

ref_biblio
Pierre Terrier. Numerical simulations for predicting the microstructural evolution of ferritic alloys. A study of Cluster Dynamics.. Analysis of PDEs [math.AP]. Université Paris-Est, 2018. English. ⟨tel-01990556⟩
Accès au texte intégral et bibtex
https://tel.archives-ouvertes.fr/tel-01990556/file/manuscrit_terrier.pdf BibTex
ref_biblio
Marc Josien. Etude mathématique et numérique de quelques modèles multi-échelles issus de la mécanique des matériaux. Equations aux dérivées partielles [math.AP]. Université Paris-Est, 2018. Français. ⟨tel-01988719⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/tel-01988719/file/Hal_These_Josien.pdf BibTex

Preprints, Working Papers, …

ref_biblio
Christophe Andrieu, Alain Durmus, Nikolas Nüsken, Julien Roussel. Hypocoercivity of Piecewise Deterministic Markov Process-Monte Carlo. 2018. ⟨hal-01941467⟩
Accès au bibtex
https://arxiv.org/pdf/1808.08592 BibTex
ref_biblio
Eric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík. Post-processing of the planewave approximation of Schrödinger equations. Part I: linear operators. 2018. ⟨hal-01908039v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01908039/file/Post_processing_part1.pdf BibTex
ref_biblio
Tony Lelièvre, Dorian Le Peutrec, Boris Nectoux. Exit event from a metastable state and Eyring-Kramers law for the overdamped Langevin dynamics. 2018. ⟨hal-01696187v3⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01696187/file/proceeding_IHP_springer_BN.pdf BibTex
ref_biblio
Grégoire Ferré, Mathias Rousset, Gabriel Stoltz. More on the long time stability of Feynman-Kac semigroups. 2018. ⟨hal-01911620⟩
Accès au bibtex
https://arxiv.org/pdf/1807.00390 BibTex
ref_biblio
Eric Cancès, Virginie Ehrlacher, Frédéric Legoll, Benjamin Stamm, Shuyang Xiang. An embedded corrector problem for homogenization. Part II: Algorithms and discretization. 2018. ⟨hal-01903486⟩
Accès au bibtex
https://arxiv.org/pdf/1810.09885 BibTex
ref_biblio
Eric Cancès, Ling-Ling Cao, Gabriel Stoltz. Removing a slab from the Fermi sea: the reduced Hartree-Fock model. 2018. ⟨hal-01891488⟩
Accès au bibtex
https://arxiv.org/pdf/1807.06960 BibTex
ref_biblio
Antoine Levitt. Screening in the finite-temperature reduced Hartree-Fock model. 2018. ⟨hal-01889411⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01889411/file/scf.pdf BibTex
ref_biblio
Marc Josien. Decomposition and pointwise estimates of periodic Green functions of some elliptic equations with periodic oscillatory coefficients. 2018. ⟨hal-01848268⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01848268/file/Josien_Green_function.pdf BibTex
ref_biblio
Eric Cancès, Virginie Ehrlacher, Frédéric Legoll, Benjamin Stamm, Shuyang Xiang. An embedded corrector problem for homogenization. Part I: Theory. 2018. ⟨hal-01840993⟩
Accès au bibtex
https://arxiv.org/pdf/1807.05131 BibTex
ref_biblio
Eric Cancès, Virginie Ehrlacher, David Gontier, Antoine Levitt, Damiano Lombardi. Numerical quadrature in the Brillouin zone for periodic Schrödinger operators. 2018. ⟨hal-01796582⟩
Accès au bibtex
https://arxiv.org/pdf/1805.07144 BibTex
ref_biblio
Tony Lelièvre, Wei Zhang. Pathwise estimates for effective dynamics: the case of nonlinear vectorial reaction coordinates. 2018. ⟨hal-01794919⟩
Accès au bibtex
https://arxiv.org/pdf/1805.01928 BibTex
ref_biblio
Thomas Hudson, Frédéric Legoll, Tony Lelièvre. Stochastic homogenization of a scalar viscoelastic model exhibiting stress-strain hysteresis. 2018. ⟨hal-01710772⟩
Accès au bibtex
https://arxiv.org/pdf/1802.05549 BibTex
ref_biblio
Anil Damle, Antoine Levitt, Lin Lin. Variational formulation for Wannier functions with entangled band structure. 2018. ⟨hal-01696529⟩
Accès au bibtex
https://arxiv.org/pdf/1801.08572 BibTex
ref_biblio
Xavier Blanc, Claude Le Bris, P.-L Lions. On correctors for linear elliptic homogenization in the presence of local defects. 2018. ⟨hal-01697104⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01697104/file/BLL-2017-1.pdf BibTex
ref_biblio
Tony Lelièvre. Mathematical foundations of Accelerated Molecular Dynamics methods. 2018. ⟨hal-01686062⟩
Accès au bibtex
https://arxiv.org/pdf/1801.05347 BibTex
ref_biblio
Tony Lelièvre, Giovanni Samaey, Przemysław Zieliński. Analysis of a micro-macro acceleration method with minimum relative entropy moment matching. 2018. ⟨hal-01680761⟩
Accès au bibtex
https://arxiv.org/pdf/1801.01740 BibTex

2017

Journal articles

ref_biblio
Giacomo Di Gesù, Dorian Le Peutrec. Small noise spectral gap asymptotics for a large system of nonlinear diffusions. Journal of Spectral Theory, European Mathematical Society, 2017, ⟨10.4171/JST/182⟩. ⟨hal-01164510⟩
Accès au bibtex
https://arxiv.org/pdf/1506.04434 BibTex
ref_biblio
Pierre Terrier, Manuel Athènes, Thomas Jourdan, Gilles Adjanor, Gabriel Stoltz. Cluster dynamics modelling of materials: a new hybrid deterministic/stochastic coupling approach. Journal of Computational Physics, Elsevier, 2017, 350, pp.280-295. ⟨10.1016/j.jcp.2017.08.015⟩. ⟨hal-01378916⟩
Accès au bibtex
https://arxiv.org/pdf/1610.02949 BibTex
ref_biblio
Roland Assaraf, Benjamin Jourdain, Tony Lelièvre, Raphaël Roux. Computation of sensitivities for the invariant measure of a parameter dependent diffusion. Stochastics and Partial Differential Equations: Analysis and Computations, A. Debussche; B. Rozovsky, 2017, June 2018, 6 (2), pp.125-183. ⟨10.1007/s40072-017-0105-6⟩. ⟨hal-01192862⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01192862/file/computation_sensitivities.pdf BibTex
ref_biblio
Eric Cancès, Geneviève Dusson. Discretization error cancellation in electronic structure calculation: toward a quantitative study. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2017, 51 (5), pp. 1617 – 1636. ⟨10.1051/m2an/2017035⟩. ⟨hal-01435054v2⟩
Accès au texte intégral et bibtex
https://hal.sorbonne-universite.fr/hal-01435054/file/article_hal_version.pdf BibTex
ref_biblio
Henri Louvin, Eric Dumonteil, Tony Lelièvre, Mathias Rousset, Cheikh M. Diop. Adaptive Multilevel Splitting for Monte Carlo particle transport. EPJ Web of Conferences, EDP Sciences, 2017, 153, pp.1-9. ⟨10.1051/epjconf/201715306006⟩. ⟨hal-01661012⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík. Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: conforming approximations. SIAM Journal on Numerical Analysis, Society for Industrial and Applied Mathematics, 2017, 55 (5), pp.2228-2254. ⟨10.1137/15M1038633⟩. ⟨hal-01194364v3⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/hal-01194364/file/a_post_Lapl_conf.pdf BibTex
ref_biblio
Antoine Levitt, Christoph Ortner. Convergence and Cycling in Walker-type Saddle Search Algorithms. SIAM Journal on Numerical Analysis, Society for Industrial and Applied Mathematics, 2017, ⟨10.1137/16M1087199⟩. ⟨hal-01350514⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01350514/file/paper.pdf BibTex
ref_biblio
Adrien Le Coent, Florian de Vuyst, Christian Rey, Ludovic Chamoin, Laurent Fribourg. Control of mechanical systems using set based methods. International Journal of Dynamics and Control, Springer Berlin Heidelberg, 2017, 5 (3), pp.496-512. ⟨10.1007/s40435-016-0245-y⟩. ⟨hal-01241735⟩
Accès au bibtex
BibTex
ref_biblio
Giacomo Di Gesù, Mauro Mariani. Full metastable asymptotic of the fisher information. SIAM Journal on Mathematical Analysis, Society for Industrial and Applied Mathematics, 2017, ⟨10.1137/16M1077805⟩. ⟨hal-01400800⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01400800/file/DiGesu_Mariani_Full_Metastable_Asymptotics.pdf BibTex
ref_biblio
Xavier Antoine, Antoine Levitt, Qinglin Tang. Efficient spectral computation of the stationary states of rotating Bose-Einstein condensates by the preconditioned nonlinear conjugate gradient method. Journal of Computational Physics, Elsevier, 2017, 343, pp.92-109. ⟨10.1016/j.jcp.2017.04.040⟩. ⟨hal-01393094⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01393094/file/paper.pdf BibTex
ref_biblio
Charles-Edouard Bréhier, Marie Kopec. Approximation of the invariant law of SPDEs: error analysis using a Poisson equation for a full-discretization scheme. IMA Journal of Numerical Analysis, Oxford University Press (OUP), 2017, 37 (3), pp.1. ⟨10.1093/imanum/drw030⟩. ⟨hal-00910323v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00910323/file/WevPeFe.pdf BibTex
ref_biblio
M. Fathi, Gabriel Stoltz. Improving dynamical properties of metropolized discretizations of overdamped Langevin dynamics. Numerische Mathematik, Springer Verlag, 2017, 136 (2), pp.545-602. ⟨10.1007/s00211-016-0849-3⟩. ⟨hal-01153573⟩
Accès au bibtex
https://arxiv.org/pdf/1505.04905 BibTex
ref_biblio
Eric Cancès, Paul Cazeaux, Mitchell Luskin. Generalized Kubo Formulas for the Transport Properties of Incommensurate 2D Atomic Heterostructures. Journal of Mathematical Physics, American Institute of Physics (AIP), 2017, 58 (6), pp.1-29. ⟨10.1063/1.4984041⟩. ⟨hal-01403588v2⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/hal-01403588/file/MultilayerKubo.pdf BibTex
ref_biblio
Nils Berglund, Giacomo Di Gesù, Hendrik Weber. An Eyring–Kramers law for the stochastic Allen–Cahn equation in dimension two. Electronic Journal of Probability, Institute of Mathematical Statistics (IMS), 2017, 22 (41), pp.1-27. ⟨10.1214/17-EJP60⟩. ⟨hal-01304559v3⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01304559/file/allencahn_2d_revised.pdf BibTex
ref_biblio
Thomas Hudson. Upscaling a model for the thermally-driven motion of screw dislocations. Archive for Rational Mechanics and Analysis, Springer Verlag, 2017, ⟨10.1007/s00205-017-1076-5⟩. ⟨hal-01236494v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01236494/file/disl_KMC_revised.pdf BibTex
ref_biblio
Gabriel Stoltz. Stable schemes for dissipative particle dynamics with conserved energy. Journal of Computational Physics, Elsevier, 2017, 340, pp.451-469. ⟨10.1016/j.jcp.2017.03.059⟩. ⟨hal-01416108⟩
Accès au bibtex
https://arxiv.org/pdf/1612.04154 BibTex
ref_biblio
David Gontier, Salma Lahbabi. Supercell Calculations in the Reduced Hartree–Fock Model for Crystals with Local Defects. Applied Mathematics Research eXpress, Oxford University Press (OUP): Policy H – Oxford Open Option A, 2017, 2017 (1), pp.1-64. ⟨10.1093/amrx/abw010⟩. ⟨hal-01436596⟩
Accès au bibtex
https://arxiv.org/pdf/1512.08636 BibTex
ref_biblio
Dorian Le Peutrec. On Witten Laplacians and Brascamp–Lieb’s Inequality on Manifolds with Boundary. Integral Equations and Operator Theory, Springer Verlag, 2017, 87 (3), pp.411 – 434. ⟨10.1007/s00020-017-2354-1⟩. ⟨hal-01349786v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01349786/file/Brascamp-Lieb-Bdy-Arxiv%27.pdf BibTex
ref_biblio
Xavier Blanc, Marc Josien. From the Newton equation to the wave equation : the case of shock waves. AMRX, 2017, ⟨10.1093/amrx/abx001⟩. ⟨hal-01314690⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01314690/file/Article.pdf BibTex
ref_biblio
Éric Cancès, Antoine Levitt, Gianluca Panati, Gabriel Stoltz. Robust determination of maximally-localized Wannier functions. Physical Review B : Condensed matter and materials physics, American Physical Society, 2017, 95, ⟨10.1103/PhysRevB.95.075114⟩. ⟨hal-01323700⟩
Accès au bibtex
https://arxiv.org/pdf/1605.07201 BibTex
ref_biblio
Gersende Fort, Benjamin Jourdain, Tony Lelièvre, Gabriel Stoltz. Self-Healing Umbrella Sampling: Convergence and efficiency. Statistics and Computing, Springer Verlag (Germany), 2017, 27 (1), pp.147-168. ⟨10.1007/s11222-015-9613-2⟩. ⟨hal-01073201⟩
Accès au bibtex
https://arxiv.org/pdf/1410.2109 BibTex
ref_biblio
Félix Aviat, Antoine Levitt, Benjamin Stamm, Yvon Maday, Pengyu Ren, et al.. Truncated Conjugate Gradient (TCG): an optimal strategy for the analytical evaluation of the many-body polarization energy and forces in molecular simulations. Journal of Chemical Theory and Computation, American Chemical Society, 2017, 13 (1), pp.180-190. ⟨10.1021/acs.jctc.6b00981⟩. ⟨hal-01395833v4⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01395833/file/acs.jctc.6b00981.pdf BibTex
ref_biblio
Athmane Bakhta, Virginie Ehrlacher. Global existence of bounded weak solutions to degenerate cross-diffusion equations in moving domain. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, In press. ⟨hal-01238636⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01238636/file/1508.06449v1.pdf BibTex
ref_biblio
Frédéric Legoll, Tony Lelièvre, Stefano Olla. Pathwise estimates for an effective dynamics. Stochastic Processes and their Applications, Elsevier, 2017, 127 (9), pp.2841-2863. ⟨hal-01314221⟩
Accès au bibtex
https://arxiv.org/pdf/1605.02644 BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll, François Madiot. A numerical comparison of some Multiscale Finite Element approaches for advection-dominated problems in heterogeneous media. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2017, 51 (3), pp.851-888. ⟨hal-01235642⟩
Accès au bibtex
https://arxiv.org/pdf/1511.08453 BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll. Examples of computational approaches for elliptic, possibly multiscale PDEs with random inputs. Journal of Computational Physics, Elsevier, 2017, 328, pp.455-473. ⟨10.1016/j.jcp.2016.10.027⟩. ⟨hal-01304040⟩
Accès au bibtex
https://arxiv.org/pdf/1604.05061 BibTex
ref_biblio
Virginie Ehrlacher, Damiano Lombardi. A dynamical adaptive tensor method for the Vlasov-Poisson system. Journal of Computational Physics, Elsevier, 2017, 319, pp.285-306. ⟨10.1016/j.jcp.2017.03.015⟩. ⟨hal-01335507⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01335507/file/1606.06648v1.pdf BibTex
ref_biblio
Tanfeng Zhao, Haohao Fu, Tony Lelièvre, Xueguang Shao, Christophe Chipot, et al.. The Extended Generalized Adaptive Biasing Force Algorithm for Multidimensional Free-Energy Calculations. Journal of Chemical Theory and Computation, American Chemical Society, 2017, 13 (4), pp.1566 – 1576. ⟨10.1021/acs.jctc.7b00032⟩. ⟨hal-01587011⟩
Accès au bibtex
BibTex

Conference papers

ref_biblio
Frédéric Legoll, Ludovic Chamoin. A posteriori error estimation for multiscale computations based on MsFEM. 14th National Congress on Computational Mechanics – USNCCM14, Jul 2017, Montréal, Canada. ⟨hal-01581797⟩
Accès au bibtex
BibTex
ref_biblio
Ludovic Chamoin, Frédéric Legoll. Certified computations with PGD model reduction in the MsFEM framework. 14th National Congress on Computational Mechanics – USNCCM14, Jul 2017, Montréal, Canada. ⟨hal-01581791⟩
Accès au bibtex
BibTex
ref_biblio
Frédéric Legoll, Ludovic Chamoin. Multiscale computations based on MsFEM: model reduction and goal-oriented a posteriori error estimation. 8th International Conference on Adaptive Modeling and Simulation – ADMOS 2017, Jun 2017, Verbania, Italy. ⟨hal-01583144⟩
Accès au bibtex
BibTex
ref_biblio
Quang Huy Tran, Guillaume Enchéry, Riad Sanchez, Sébastien Boyaval. A Reduced-Basis Approach to Two-Phase Flow in Porous Media. FVCA 2017, Jun 2017, Lille, France. ⟨10.1007/978-3-319-57394-6_50⟩. ⟨hal-01587116⟩
Accès au bibtex
BibTex
ref_biblio
Sébastien Boyaval. Johnson-Segalman – Saint-Venant equations for viscoelastic shallow flows in the elastic limit. XVI International Conference on Hyperbolic Problems Theory, Numerics, Applications (Hyp2016), Aug 2016, Aachen, Germany. ⟨hal-01402628⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/hal-01402628/file/hal.pdf BibTex

Book sections

ref_biblio
Sébastien Boyaval. A Finite-Volume discretization of viscoelastic Saint-Venant equations for FENE-P fluids. Clément Cancès; Pascal Omnes. Finite Volumes for Complex Applications VIII – Hyperbolic, Elliptic and Parabolic Problems. FVCA 2017. Springer Proceedings in Mathematics & Statistics, 200, ⟨Springer⟩, pp.163-170, 2017, Print ISBN : 978-3-319-57393-9 / online : 978-3-319-57394-6. ⟨10.1007/978-3-319-57394-6_18⟩. ⟨hal-01433712⟩
Accès au texte intégral et bibtex
https://hal-enpc.archives-ouvertes.fr/hal-01433712/file/hal.pdf BibTex

Preprints, Working Papers, …

ref_biblio
Sébastien Boyaval. Derivation and numerical approximation of hyperbolic viscoelastic flow systems: Saint-Venant 2D equations for Maxwell fluids. 2017. ⟨hal-01661269⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01661269/file/hal.pdf BibTex
ref_biblio
Athmane Bakhta, Virginie Ehrlacher, David Gontier. Numerical reconstruction of the first band(s) in an inverse Hill’s problem. 2017. ⟨hal-01591133⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01591133/file/inverse_problem_paper.pdf BibTex
ref_biblio
Marc Josien. Mathematical properties of the Weertman equation. 2017. ⟨hal-01589690⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01589690/file/Weertman_Maths.pdf BibTex
ref_biblio
Athmane Bakhta, Virginie Ehrlacher. Cross-diffusion systems with non-zero flux and moving boundary conditions. 2017. ⟨hal-01397682v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01397682/file/cross_diffusion_moving_Bak_Ehr_revised.pdf BibTex
ref_biblio
Laura J. S. Lopes, Tony Lelièvre. Analysis of the Adaptive Multilevel Splitting method with the alanine di-peptide’s isomerization. 2017. ⟨hal-01574847⟩
Accès au bibtex
https://arxiv.org/pdf/1707.00950 BibTex
ref_biblio
Giacomo Di Gesù, Tony Lelièvre, Dorian Le Peutrec, Boris Nectoux. Sharp asymptotics of the first exit point density. 2017. ⟨hal-01548737⟩
Accès au bibtex
https://arxiv.org/pdf/1706.08728 BibTex
ref_biblio
John Barrett, Sébastien Boyaval. Finite Element Approximation of the FENE-P Model. 2017. ⟨hal-01501197⟩
Accès au texte intégral et bibtex
https://hal-enpc.archives-ouvertes.fr/hal-01501197/file/fenep.pdf BibTex
ref_biblio
Eric Cancès, Nahia Mourad. A numerical study of the extended Kohn-Sham ground states of atoms. 2017. ⟨hal-01454677⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01454677/file/cances_mourad.pdf BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll, François Madiot. Stable approximation of the advection-diffusion equation using the invariant measure. 2017. ⟨hal-01367417⟩
Accès au bibtex
https://arxiv.org/pdf/1609.04777 BibTex

2016

Journal articles

ref_biblio
Gérôme Faure, Jean-Bernard Maillet, Julien Roussel, Gabriel Stoltz. Size consistency in smoothed dissipative particle dynamics. Physical Review E , American Physical Society (APS), 2016, 94, pp.043305. ⟨10.1103/PhysRevE.94.043305⟩. ⟨hal-01345009⟩
Accès au bibtex
https://arxiv.org/pdf/1607.03285 BibTex
ref_biblio
Adrien Lesage, Tony Lelièvre, Gabriel Stoltz, Jérôme Hénin. Smoothed Biasing Forces Yield Unbiased Free Energies with the Extended-System Adaptive Biasing Force Method. Journal of Physical Chemistry B, American Chemical Society, 2016, 121 (15), pp.3676-3685. ⟨10.1021/acs.jpcb.6b10055⟩. ⟨hal-01423958⟩
Accès au bibtex
BibTex
ref_biblio
David Gontier, Salma Lahbabi. Convergence rates of supercell calculations in the reduced Hartree−Fock model. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2016, 50 (5), pp.1403 – 1424. ⟨10.1051/m2an/2015084⟩. ⟨hal-01238623⟩
Accès au bibtex
https://arxiv.org/pdf/1507.00316 BibTex
ref_biblio
Basile Marchand, Ludovic Chamoin, Christian Rey. Real-time updating of structural mechanics models using Kalman filtering, modified Constitutive Relation Error and Proper Generalized Decomposition. International Journal for Numerical Methods in Engineering, Wiley, 2016, 107 (9), pp.786-810. ⟨10.1002/nme.5197⟩. ⟨hal-01241738⟩
Accès au bibtex
BibTex
ref_biblio
Stephane Redon, Gabriel Stoltz, Zofia Trstanova. Error Analysis of Modified Langevin Dynamics. Journal of Statistical Physics, Springer Verlag, 2016, 164 (4), pp.735-771. ⟨10.1007/s10955-016-1544-6⟩. ⟨hal-01263700⟩
Accès au bibtex
https://arxiv.org/pdf/1601.07411 BibTex
ref_biblio
Eric Cancès, David Gontier, Gabriel Stoltz. A mathematical analysis of the GW0 method for computing electronic excited state energies of molecules. Reviews in Mathematical Physics, World Scientific Publishing, 2016, 28 (4), pp.1650008. ⟨10.1142/S0129055X16500082⟩. ⟨hal-01160926⟩
Accès au bibtex
https://arxiv.org/pdf/1506.01737 BibTex
ref_biblio
Thomas Jourdan, Gabriel Stoltz, Frédéric Legoll, Laurent Monasse. An accurate scheme to solve cluster dynamics equations using a Fokker-Planck approach. Computer Physics Communications, Elsevier, 2016, 207, pp.170. ⟨10.1016/j.cpc.2016.06.001⟩. ⟨cea-01302986v2⟩
Accès au texte intégral et bibtex
https://hal-cea.archives-ouvertes.fr/cea-01302986/file/scheme-fp.pdf BibTex
ref_biblio
Charles-Edouard Bréhier, Ludovic Goudenège, Loic Tudela. Central Limit Theorem for Adaptative Multilevel Splitting Estimators in an Idealized Setting. Springer Proceedings in Mathematics & Statistics, Springer, 2016, Monte Carlo and Quasi-Monte Carlo Methods: MCQMC, Leuven, Belgium, April 2014, 163, pp.245–260. ⟨10.1007/978-3-319-33507-0_10⟩. ⟨hal-01074155⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01074155/file/TCL_AMS-hal-arxiv.pdf BibTex
ref_biblio
Ivan Teo, Christopher G. Mayne, Klaus Schulten, Tony Lelièvre. Adaptive Multilevel Splitting Method for Molecular Dynamics Calculation of Benzamidine-Trypsin Dissociation Time. Journal of Chemical Theory and Computation, American Chemical Society, 2016, 12 (6), pp.2983 – 2989. ⟨10.1021/acs.jctc.6b00277⟩. ⟨hal-01389074⟩
Accès au bibtex
BibTex
ref_biblio
Tony Lelièvre, Gabriel Stoltz. Partial differential equations and stochastic methods in molecular dynamics. Acta Numerica, Cambridge University Press (CUP), 2016, 25, pp.681-880. ⟨10.1017/S0962492916000039⟩. ⟨hal-01334088⟩
Accès au bibtex
BibTex
ref_biblio
Li Wang, Ludovic Chamoin, Pierre Ladevèze, Hongzhi Zhong. Computable upper and lower bounds on eigenfrequencies. Computer Methods in Applied Mechanics and Engineering, Elsevier, 2016, 302, pp.27-43. ⟨10.1016/j.cma.2016.01.002⟩. ⟨hal-01241742⟩
Accès au bibtex
BibTex
ref_biblio
Georgios A. Tritsaris, Sharmila N. Shirodkar, Efthimios Kaxiras, Paul Cazeaux, Mitchell Luskin, et al.. Perturbation theory for weakly coupled two-dimensional layers. Journal of Materials Research, Cambridge University Press (CUP), 2016, 31 (7), pp.959-966. ⟨10.1557/jmr.2016.99⟩. ⟨hal-01435981⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík. A perturbation-method-based post-processing for the planewave discretization of Kohn–Sham models. Journal of Computational Physics, Elsevier, 2016, 307, pp.446-459. ⟨10.1016/j.jcp.2015.12.012⟩. ⟨hal-01140818v2⟩
Accès au texte intégral et bibtex
https://hal.sorbonne-universite.fr/hal-01140818/file/PerturbationDFT_revised.pdf BibTex
ref_biblio
Benjamin Stamm, Eric Cancès, Filippo Lipparini, Yvon Maday. A new discretization for the polarizable continuum model within the domain decomposition paradigm. Journal of Chemical Physics, American Institute of Physics, 2016, 144 (5), ⟨10.1063/1.4940136⟩. ⟨hal-01435973⟩
Accès au bibtex
BibTex
ref_biblio
Ahmed-Amine Homman, Jean-Bernard Maillet, Julien Roussel, Gabriel Stoltz. New parallelizable schemes for integrating the Dissipative Particle Dynamics with Energy Conservation. Journal of Chemical Physics, American Institute of Physics, 2016, 144 (2), pp.024112. ⟨10.1063/1.4937797⟩. ⟨hal-01180558⟩
Accès au bibtex
https://arxiv.org/pdf/1507.06643 BibTex
ref_biblio
François Bouchut, Sébastien Boyaval. Unified derivation of thin-layer reduced models for shallow free-surface gravity flows of viscous fluids . European Journal of Mechanics – B/Fluids, Elsevier, 2016, 55 (1), pp.116-131. ⟨10.1016/j.euromechflu.2015.09.003⟩. ⟨hal-00833468v2⟩
Accès au texte intégral et bibtex
https://hal-enpc.archives-ouvertes.fr/hal-00833468/file/thin1.pdf BibTex
ref_biblio
Fabien Casenave, Alexandre Ern, Tony Lelièvre. Variants of the Empirical Interpolation Method: Symmetric formulation, choice of norms and rectangular extension. Applied Mathematics Letters, Elsevier, 2016, 56, pp.23 – 28. ⟨10.1016/j.aml.2015.11.010⟩. ⟨hal-01186039⟩
Accès au bibtex
BibTex
ref_biblio
V Ehrlacher, C Ortner, Alexander Shapeev. Analysis of boundary conditions for crystal defect atomistic simulations. Archive for Rational Mechanics and Analysis, Springer Verlag, 2016, 222 (3), pp 1217-1268. ⟨10.1007/s00205-016-1019-6⟩. ⟨hal-01238637⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01238637/file/1306.5334v3.pdf BibTex
ref_biblio
Giacomo Di Gesù, Tony Lelièvre, Dorian Le Peutrec, Boris Nectoux. Jump Markov models and transition state theory: the quasi-stationary distribution approach. Faraday Discussions, Royal Society of Chemistry, 2016, 195 (9), pp.469 – 495. ⟨10.1039/C6FD00120C⟩. ⟨hal-01314233⟩
Accès au bibtex
https://arxiv.org/pdf/1605.02643 BibTex
ref_biblio
Adrien Le Coënt, Laurent Fribourg, Nicolas Markey, Florian de Vuyst, Ludovic Chamoin. Distributed Synthesis of State-Dependent Switching Control. Lecture Notes in Computer Sciences , Springer, 2016, Reachability Problems (RP 2016), 9899, pp.119-133. ⟨10.1007/978-3-319-45994-3_9⟩. ⟨hal-01295738⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01295738/file/cassting.pdf BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll, William Minvielle. Special Quasirandom Structures: a selection approach for stochastic homogenization. Monte Carlo Methods and Applications, De Gruyter, 2016, 22 (1), pp.25-54. ⟨hal-01194480⟩
Accès au bibtex
https://arxiv.org/pdf/1509.01258 BibTex
ref_biblio
Ignacio G. Tejada, Laurent Brochard, Tony Lelièvre, Gabriel Stoltz, Frédéric Legoll, et al.. Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure. Computer Methods in Applied Mechanics and Engineering, Elsevier, 2016, 305, pp.422 – 440. ⟨10.1016/j.cma.2016.03.011⟩. ⟨hal-01196505⟩
Accès au bibtex
https://arxiv.org/pdf/1509.02416 BibTex
ref_biblio
Eric Cancès, Nahia Mourad. Existence of a type of optimal norm-conserving pseudopotentials for Kohn–Sham models. Communications in Mathematical Sciences, International Press, 2016, 14 (5), pp.1315 – 1352. ⟨10.4310/CMS.2016.v14.n5.a6⟩. ⟨hal-01139375⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/hal-01139375/file/cances_mourad_pseudopotential.pdf BibTex
ref_biblio
Xavier Blanc, Claude Le Bris, Frédéric Legoll. Some variance reduction methods for numerical stochastic homogenization. Philosophical Transactions of the Royal Society of London. A (1887–1895), Royal Society, The, 2016, 374 (2066), pp.20150168. ⟨hal-01196499⟩
Accès au bibtex
https://arxiv.org/pdf/1509.02389 BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll, François Madiot. Stabilisation de problèmes non coercifs via une méthode numérique utilisant la mesure invariante (Stabilization of non-coercive problems using the invariant measure). Comptes Rendus Mathématique, Elsevier Masson, 2016, 354 (8), pp.799-803. ⟨hal-01348854⟩
Accès au bibtex
BibTex
ref_biblio
Houssam Alrachid, Tony Lelièvre, Raafat Talhouk. Local and global solution for a nonlocal Fokker–Planck equation related to the adaptive biasing force process. Journal of Differential Equations, Elsevier, 2016, 260 (9), pp.7032 – 7058. ⟨10.1016/j.jde.2016.01.020⟩. ⟨hal-01244976⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01244976/file/FP_arxiv.pdf BibTex
ref_biblio
Karam Sab, Frédéric Legoll, Samuel Forest. Stress gradient elasticity theory : existence and uniqueness of solution. Journal of Elasticity, Springer Verlag, 2016, 123 (2), pp.179-201. ⟨10.1007/s10659-015-9554-1⟩. ⟨hal-01288563⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01288563/file/sab_legoll_forest_math-stress-gradient.pdf BibTex
ref_biblio
A. B. Duncan, T. Lelièvre, G. A. Pavliotis. Variance Reduction Using Nonreversible Langevin Samplers. Journal of Statistical Physics, Springer Verlag, 2016, 163 (3), pp.457 – 491. ⟨10.1007/s10955-016-1491-2⟩. ⟨hal-01164466⟩
Accès au bibtex
https://arxiv.org/pdf/1506.04934 BibTex
ref_biblio
Charles-Edouard Bréhier, Maxime Gazeau, Ludovic Goudenège, Tony Lelièvre, Mathias Rousset. Unbiasedness of some generalized adaptive multilevel splitting algorithms. Annals of Applied Probability, Institute of Mathematical Statistics (IMS), 2016, 26 (6), pp.3559 – 3601. ⟨10.1214/16-AAP1185⟩. ⟨hal-01142704⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01142704/file/BGGLR.pdf BibTex

Conference papers

ref_biblio
Ludovic Chamoin, Frédéric Legoll. Multiscale computations with MsFEM: a posteriori error estimation, adaptive strategy, and coupling with PGD model reduction. 8th International Conference on Multiscale Materials Modeling – MMM2016, Oct 2016, Dijon, France. ⟨hal-01583202⟩
Accès au bibtex
BibTex
ref_biblio
Ludovic Chamoin, Frédéric Legoll. Certified multiscale computations based on MsFEM and PGD model reduction. 7th European Congress on Computational Methods in Applied Sciences and Engineering – ECCOMAS 2016, Jun 2016, Crete Island, Greece. ⟨hal-01583204⟩
Accès au bibtex
BibTex
ref_biblio
Florent Pled, Ludovic Chamoin, Pierre-Eric Allier, Pierre Ladevèze. On the control of PGD reduced-order approximations: error estimation and adaptivity. European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS 2016), Jun 2016, Hersonissos, Crete Island, Greece. ⟨hal-01306402⟩
Accès au bibtex
BibTex

2015

Journal articles

ref_biblio
Claude Le Bris, Pierre Rouchon, Julien Roussel. Adaptive low-rank approximation and denoised Monte Carlo approach for high-dimensional Lindblad equations. Physical Review, American Physical Society (APS), 2015, 92 (6), pp.062126. ⟨10.1103/PhysRevA.92.062126⟩. ⟨hal-01252664⟩
Accès au texte intégral et bibtex
https://hal-mines-paristech.archives-ouvertes.fr/hal-01252664/file/1509.07960v2.pdf BibTex
ref_biblio
Pierre-Eric Allier, Ludovic Chamoin, Pierre Ladevèze. Proper Generalized Decomposition computational methods on a benchmark problem : introducing a new strategy based on Constitutive Relation Error minimization. Advanced Modeling and Simulation in Engineering Sciences, SpringerOpen, 2015, 2 (17), ⟨10.1186/s40323-015-0038-4⟩. ⟨hal-01241744⟩
Accès au bibtex
BibTex
ref_biblio
Charles-Edouard Bréhier, Tony Lelièvre, Mathias Rousset. Analysis of Adaptive Multilevel Splitting algorithms in an idealized case. ESAIM: Probability and Statistics, EDP Sciences, 2015, 19, ⟨10.1051/ps/2014029⟩. ⟨hal-00987297⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00987297/file/ArticleAMS.pdf BibTex
ref_biblio
Grégoire Ferré, Jean-Bernard Maillet, Gabriel Stoltz. Permutation-invariant distance between atomic configurations. Journal of Chemical Physics, American Institute of Physics, 2015, 143 (10), pp.104114. ⟨10.1063/1.4930541⟩. ⟨hal-01175794⟩
Accès au bibtex
https://arxiv.org/pdf/1507.02911 BibTex
ref_biblio
Gersende Fort, Benjamin Jourdain, Estelle Kuhn, Tony Lelièvre, Gabriel Stoltz. Convergence of the Wang-Landau algorithm. Mathematics of Computation, American Mathematical Society, 2015, 84 (295), ⟨10.1090/S0025-5718-2015-02952-4⟩. ⟨hal-01238595⟩
Accès au bibtex
BibTex
ref_biblio
Xavier Blanc, C Le Bris, P.-L Lions. Local profiles for elliptic problems at different scales: defects in, and interfaces between periodic structures. Communications in Partial Differential Equations, Taylor & Francis, 2015, ⟨10.1080/03605302.2015.1043464⟩. ⟨hal-01143193v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01143193/file/blanc_lebris_lions.pdf BibTex
ref_biblio
Benjamin Jourdain, Tony Lelièvre, Błażej Miasojedow. Optimal scaling for the transient phase of the random walk Metropolis algorithm: The mean-field limit. Annals of Applied Probability, Institute of Mathematical Statistics (IMS), 2015, 25 (4), ⟨10.1214/14-AAP1048⟩. ⟨hal-00748055⟩
Accès au bibtex
https://arxiv.org/pdf/1210.7639 BibTex
ref_biblio
Louis Lagardere, Filippo Lipparini, Etienne Polack, Benjamin Stamm, Eric Cances, et al.. Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II. Towards Massively Parallel Computations using Smooth Particle Mesh Ewald. Journal of Chemical Theory and Computation, American Chemical Society, 2015, 11 (6), pp.2589-2599. ⟨10.1021/acs.jctc.5b00171⟩. ⟨hal-01223161⟩
Accès au bibtex
BibTex
ref_biblio
Joubine Aghili, Sébastien Boyaval, Daniele Di Pietro. Hybridization of Mixed High-Order Methods on General Meshes and Application to the Stokes Equations. Computational Methods in Applied Mathematics, De Gruyter, 2015, 15 (2), pp.111-134. ⟨10.1515/cmam-2015-0004⟩. ⟨hal-01009723v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01009723/file/ABD15.pdf BibTex
ref_biblio
Houssam Alrachid, Virginie Ehrlacher, Alexis Marceau, Karim Tekkal. Statistical methods for critical scenarios in aeronautics . ESAIM: Proceedings and Surveys, EDP Sciences, 2015, 48, pp.262-275. ⟨10.1051/proc/201448012⟩. ⟨hal-01435972⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01435972/file/1409.1446v2.pdf BibTex
ref_biblio
Max Fathi, Ahmed-Amine Homman, Gabriel Stoltz. Error analysis of the transport properties of Metropolized schemes. ESAIM: Proceedings and Surveys, EDP Sciences, 2015, 48, pp.341-363. ⟨10.1051/proc/201448016 ⟩. ⟨hal-00952768⟩
Accès au bibtex
https://arxiv.org/pdf/1402.6537 BibTex
ref_biblio
Tony Lelièvre, Gideon Simpson. A generalized parallel replica dynamics. Journal of Computational Physics, Elsevier, 2015, 284, ⟨10.1016/j.jcp.2015.01.002⟩. ⟨hal-00983282⟩
Accès au bibtex
https://arxiv.org/pdf/1404.6191 BibTex
ref_biblio
Herbert Spohn, Gabriel Stoltz. Nonlinear Fluctuating Hydrodynamics in One Dimension: the Case of Two Conserved Fields. Journal of Statistical Physics, Springer Verlag, 2015, 160 (4), pp.861-884. ⟨10.1007/s10955-015-1214-0⟩. ⟨hal-01078720⟩
Accès au bibtex
https://arxiv.org/pdf/1410.7896 BibTex
ref_biblio
Benedict Leimkuhler, Charles Matthews, Gabriel Stoltz. The computation of averages from equilibrium and nonequilibrium Langevin molecular dynamics. IMA Journal of Numerical Analysis, Oxford University Press (OUP), 2015, 36, pp.13-79. ⟨10.1093/imanum/dru056⟩. ⟨hal-00854791⟩
Accès au bibtex
https://arxiv.org/pdf/1308.5814 BibTex
ref_biblio
Xavier Blanc, Claude Le Bris, Pierre Louis Lions. Local profiles and elliptic problems at different scales with defects. Comptes Rendus Mathématique, Elsevier Masson, 2015, pp.203-208. ⟨10.1016/j.crma.2015.01.003⟩. ⟨hal-01143311⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01143311/file/cras.pdf BibTex
ref_biblio
Filippo Lipparini, Louis Lagardère, Christophe Raynaud, Benjamin Stamm, Eric Cancès, et al.. Polarizable Molecular Dynamics in a Polarizable Continuum Solvent. Journal of Chemical Theory and Computation, American Chemical Society, 2015, 11 (2), pp.623-634. ⟨10.1021/ct500998q⟩. ⟨hal-01114784⟩
Accès au bibtex
BibTex
ref_biblio
Emmanuel Audusse, Sébastien Boyaval, Nicole Goutal, Magali Jodeau, Philippe Ung. Numerical Simulation of the Dynamics of Sedimentary River Beds with a Stochastic Exner Equation. ESAIM: Proceedings and Surveys, EDP Sciences, 2015, 48, pp.321 – 340. ⟨10.1051/proc/201448015⟩. ⟨hal-01102335⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01102335/file/cemracs_sediment.pdf BibTex
ref_biblio
Jeffrey Comer, James C. Gumbart, Jérôme Hénin, Tony Lelièvre, Andrew Pohorille, et al.. The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask. Journal of Physical Chemistry B, American Chemical Society, 2015, 119 (3), pp.1129-1151. ⟨10.1021/jp506633n⟩. ⟨hal-01238593⟩
Accès au bibtex
BibTex
ref_biblio
Yalchin Efendiev, Cornelia Kronsbein, Frédéric Legoll. Multilevel Monte Carlo approaches for numerical homogenization. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2015, 13 (4), pp.1107-1135. ⟨10.1137/130905836⟩. ⟨hal-00776287⟩
Accès au bibtex
https://arxiv.org/pdf/1301.2798 BibTex
ref_biblio
T. Lelièvre. Accelerated dynamics: Mathematical foundations and algorithmic improvements. The European Physical Journal. Special Topics, EDP Sciences, 2015, 224 (12), pp.2429 – 2444. ⟨10.1140/epjst/e2015-02420-1⟩. ⟨hal-01100917⟩
Accès au bibtex
BibTex
ref_biblio
Basile Marchand, Ludovic Chamoin, Christian Rey. Coupling modified constitutive relation error, model reduction, and Kalman filtering algorithms for real-time paramaters identification. Journal of Physics: Conference Series, IOP Publishing, 2015, 657, pp.012007. ⟨10.1088/1742-6596/657/1/012007⟩. ⟨hal-01241747⟩
Accès au bibtex
BibTex
ref_biblio
Frédéric Legoll, William Minvielle. Variance reduction using antithetic variables for a nonlinear convex stochastic homogenization problem. Discrete and Continuous Dynamical Systems – Series S, American Institute of Mathematical Sciences, 2015, 8 (1), pp.1-27. ⟨hal-00784187⟩
Accès au bibtex
https://arxiv.org/pdf/1302.0038 BibTex
ref_biblio
Houssam Alrachid, Tony Lelièvre. Long-time convergence of an adaptive biasing force method: Variance reduction by Helmholtz projection. SMAI Journal of Computational Mathematics, Société de Mathématiques Appliquées et Industrielles (SMAI), 2015, 1, pp.55 – 82. ⟨10.5802/smai-jcm.4⟩. ⟨hal-01151894⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01151894/file/PABF.pdf BibTex
ref_biblio
Frédéric Legoll, William Minvielle. A control variate approach based on a defect-type theory for variance reduction in stochastic homogenization. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2015, 13 (2), pp.519-550. ⟨10.1137/140980120⟩. ⟨hal-01053459⟩
Accès au bibtex
https://arxiv.org/pdf/1407.8029 BibTex
ref_biblio
Tony Lelièvre, Francis Nier. Low temperature asymptotics for Quasi-Stationary Distributions in a bounded domain. Analysis & PDE, Mathematical Sciences Publishers, 2015, 8 (3), pp.561-628. ⟨10.2140/apde.2015.8.561⟩. ⟨hal-00862624⟩
Accès au bibtex
https://arxiv.org/pdf/1309.3898 BibTex
ref_biblio
Frédéric Legoll, William Minvielle, Amaël Obliger, Marielle Simon. A parameter identification problem in stochastic homogenization. ESAIM: Proceedings, EDP Sciences, 2015, 48, pp.190-214. ⟨10.1051/proc/201448008 ⟩. ⟨hal-00942730⟩
Accès au bibtex
https://arxiv.org/pdf/1402.0982 BibTex
ref_biblio
Adrien Le Coent, Florian de Vuyst, Christian Rey, Ludovic Chamoin, Laurent Fribourg. Guaranteed control of switched control systems using model order reduction and state-space bisection. Open Access Series in Informatics, Schloss Dagstuhl – Leibniz-Zentrum für Informatik, 2015, 44, pp.33-47. ⟨10.4230/OASIcs.SynCoP.2015.33⟩. ⟨hal-01241746⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cancès, Virginie Ehrlacher, Frédéric Legoll, Benjamin Stamm. An embedded corrector problem to approximate the homogenized coefficients of an elliptic equation. Comptes Rendus Mathématique, Elsevier Masson, 2015, 353 (9), pp.801-806. ⟨hal-01100681⟩
Accès au bibtex
https://arxiv.org/pdf/1412.6347 BibTex

Conference papers

ref_biblio
Frédéric Legoll, Ludovic Chamoin. A posteriori error estimation for multiscale computations based on MsFEM. Workshop on Multiscale Modeling and Analysis in Materials Science, Aug 2015, Shanghai, China. ⟨hal-01588726⟩
Accès au bibtex
BibTex
ref_biblio
Ludovic Chamoin, Frédéric Legoll, Claude Le Bris. Control of the multiscale finite element method using a posteriori error estimation and adaptive strategy. 13th National Congress on Computational Mechanics – USNCCM 13, Jul 2015, San Diego, United States. ⟨hal-01583245⟩
Accès au bibtex
BibTex
ref_biblio
Ludovic Chamoin, Frédéric Legoll, Claude Le Bris. A posteriori error estimation and adaptive strategy for multiscale computations based on MsFEM. 3rd ECCOMAS Young Investigators Conference – YIC GACM 2015, Jul 2015, Aachen, Germany. ⟨hal-01583243⟩
Accès au bibtex
BibTex
ref_biblio
Ignacio G Tejada, Laurent Brochard, Gabriel Stoltz, Frédéric Legoll, Tony Lelièvre, et al.. Combining a reactive potential with a harmonic approximation for molecular dynamics simulation of failure: construction of a reduced potential. 3rd International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE), Aug 2014, Madrid, Spain. pp.012041, ⟨10.1088/1742-6596/574/1/012041⟩. ⟨hal-01095102⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01095102/file/15_JPCS_%20Conf%20Proc_Combining%20a%20reactive%20potential%20with%20a%20harmonic%20approximation%20for%20molecular%20dynamics%20simulation%20of%20failure%20construction%20of%20a%20reduced%20potential.pdf BibTex

Directions of work or proceedings

ref_biblio
Ludovic Chamoin, Pedro Diez. Verification and validation for and with reduced order modeling. France. 2, 2015, Special Issue of Advanced Modeling and Simulation in Engineering Sciences. ⟨hal-01241728⟩
Accès au bibtex
BibTex

Theses

ref_biblio
David Gontier. Mathematical contributions to electronic structure calculations. Mathematical Physics [math-ph]. Universite Paris Est, 2015. English. ⟨tel-01238627⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/tel-01238627/file/These_Gontier.pdf BibTex
ref_biblio
William Minvielle. Some problems related to statistical error in stochastic homogenization. Numerical Analysis [math.NA]. Université Paris-Est Marne la Vallée, 2015. English. ⟨tel-01429837⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/tel-01429837/file/minvielle.pdf BibTex

Preprints, Working Papers, …

ref_biblio
Eric Cancès, L. Ridgway Scott. Van der Waals interactions between two-hydrogen atoms : the Slater-Kirkwood method revisited . 2015. ⟨hal-01153387⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/hal-01153387/file/vdw.pdf BibTex

2014

Journal articles

ref_biblio
David Gontier. Existence of minimizers for Kohn-Sham within the Local Spin Density Approximation. Nonlinearity, IOP Publishing, 2014, 28 (1), pp.57-76. ⟨10.1088/0951-7715/28/1/57⟩. ⟨hal-01089108⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01089108/file/Art_ExistenceMin_LSDA_NonLinearity_LASTONE.pdf BibTex
ref_biblio
Filippo Lipparini, Giovanni Scalmani, Louis Lagardère, Benjamin Stamm, Eric Cancès, et al.. Quantum, classical, and hybrid QM/MM calculations in solution: General implementation of the ddCOSMO linear scaling strategy. Journal of Chemical Physics, American Institute of Physics, 2014, 141 (18), pp.184108. ⟨10.1063/1.4901304⟩. ⟨hal-01090954⟩
Accès au bibtex
BibTex
ref_biblio
R. Joubaud, G. Pavliotis, Gabriel Stoltz. Langevin dynamics with space-time periodic nonequilibrium forcing. Journal of Statistical Physics, Springer Verlag, 2014, 158 (1), pp.1-36. ⟨10.1007/s10955-014-1118-4⟩. ⟨hal-00957938⟩
Accès au bibtex
https://arxiv.org/pdf/1403.1883 BibTex
ref_biblio
Eric Cancès, Nahia Mourad. A mathematical perspective on density functional perturbation theory. Nonlinearity, IOP Publishing, 2014, 27 (9), pp.1999-2033. ⟨10.1088/0951-7715/27/9/1999⟩. ⟨hal-00952732v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00952732/file/Cances_Mourad_revised_source.pdf BibTex
ref_biblio
Filippo Lipparini, Louis Lagardère, Benjamin Stamm, Eric Cancès, Michael Schnieders, et al.. Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: I. Toward Massively Parallel Direct Space Computations. Journal of Chemical Theory and Computation, American Chemical Society, 2014, 10 (4), pp.1638-1651. ⟨10.1021/ct401096t⟩. ⟨hal-01090942⟩
Accès au bibtex
BibTex
ref_biblio
Gerome Faure, Jean-Bernard Maillet, Gabriel Stoltz. Local density dependent potential for compressible mesoparticles. Journal of Chemical Physics, American Institute of Physics, 2014, 140 (11), pp.114105. ⟨10.1063/1.4868547⟩. ⟨hal-00870895⟩
Accès au bibtex
https://arxiv.org/pdf/1310.1288 BibTex
ref_biblio
Lingling Cao, Gabriel Stoltz, Tony Lelièvre, Mihai-Cosmin Marinica, Manuel Athènes. Free energy calculations from adaptive molecular dynamics simulations with adiabatic reweighting. Journal of Chemical Physics, American Institute of Physics, 2014, 140 (12), pp. 129903 ⟨10.1063/1.4866811⟩. ⟨hal-00870892⟩
Accès au bibtex
BibTex
ref_biblio
Filippo Lipparini, Louis Lagardère, Giovanni Scalmani, Benjamin Stamm, Eric Cancès, et al.. Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum Approach. Journal of Physical Chemistry Letters, American Chemical Society, 2014, 5, pp.953-958. ⟨10.1021/jz5002506⟩. ⟨hal-00956401⟩
Accès au bibtex
BibTex
ref_biblio
Ahmed-Amine Homman, Emeric Bourasseau, Gabriel Stoltz, Patrice Malfreyt, Loic Strafella, et al.. Surface tension of spherical drops from surface of tension. Journal of Chemical Physics, American Institute of Physics, 2014, 140 (3), pp.034110. ⟨10.1063/1.4862149⟩. ⟨hal-00932843⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00932843/file/Goufi_al_JCP.pdf BibTex
ref_biblio
David Aristoff, Tony Lelièvre, Gideon Simpson. The parallel replica method for simulating long trajectories of Markov chains. Applied Mathematics Research eXpress, Oxford University Press (OUP): Policy H – Oxford Open Option A, 2014, 2, pp.332-352. ⟨10.1093/amrx/abu005⟩. ⟨hal-00934516⟩
Accès au bibtex
https://arxiv.org/pdf/1401.4500 BibTex
ref_biblio
Gersende Fort, Benjamin Jourdain, Estelle Kuhn, Tony Lelièvre, Gabriel Stoltz. Efficiency of the Wang-Landau Algorithm: A Simple Test Case. Applied Mathematics Research eXpress, Oxford University Press (OUP): Policy H – Oxford Open Option A, 2014, 2014, pp.275-311. ⟨10.1093/amrx/abu003⟩. ⟨hal-00721886⟩
Accès au bibtex
BibTex
ref_biblio
David Aristoff, Tony Lelièvre. Mathematical Analysis of Temperature Accelerated Dynamics. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2014, 12 (1), pp.290-317. ⟨10.1137/130923063⟩. ⟨hal-00827263⟩
Accès au bibtex
https://arxiv.org/pdf/1305.6569 BibTex
ref_biblio
David Benoit, Claude Le Bris, Tony Lelièvre. Macroscopic Limit of a One-Dimensional Model for Aging Fluids. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2014, 12 (3), pp.1335 – 1378. ⟨10.1137/13094133X⟩. ⟨hal-00873577⟩
Accès au bibtex
BibTex
ref_biblio
Frédéric Legoll, Florian Thomines. On a variant of random homogenization theory: convergence of the residual process and approximation of the homogenized coefficients. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2014, 48 (2), pp.347-386. ⟨hal-00755230⟩
Accès au bibtex
https://arxiv.org/pdf/1211.4252 BibTex
ref_biblio
Fabien Casenave, Alexandre Ern, Tony Lelièvre. Accurate and online-efficient evaluation of the a posteriori error bound in the reduced basis method. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2014, 48 (1), pp.207-229. ⟨10.1051/m2an/2013097⟩. ⟨hal-00761735⟩
Accès au bibtex
https://arxiv.org/pdf/1212.0970 BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll, F. Thomines. Multiscale Finite Element approach for “weakly” random problems and related issues. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2014, 48 (3), pp.815-858. ⟨hal-00639349⟩
Accès au bibtex
https://arxiv.org/pdf/1111.1524 BibTex
ref_biblio
Fabien Casenave, Alexandre Ern, Tony Lelièvre. A nonintrusive reduced basis method applied to aeroacoustic simulations. Advances in Computational Mathematics, Springer Verlag, 2014, 41 (5), pp.961 – 986. ⟨10.1007/s10444-014-9365-0⟩. ⟨hal-00934641⟩
Accès au bibtex
BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll, Alexei Lozinski. An MsFEM type approach for perforated domains. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2014, 12 (3), pp.1046-1077. ⟨hal-00841308⟩
Accès au bibtex
https://arxiv.org/pdf/1307.0876 BibTex
ref_biblio
Sébastien Boyaval. A new model for shallow viscoelastic free-surface flows forced by gravity on rough inclined bottom. ESAIM: Proceedings, EDP Sciences, 2014, 45, pp.108 – 117. ⟨hal-01077067⟩
Accès au texte intégral et bibtex
https://hal-enpc.archives-ouvertes.fr/hal-01077067/file/proc144511.pdf BibTex
ref_biblio
Virginie Ehrlacher. Convergence results on greedy algorithms for high-dimensional eigenvalue problems. ESAIM: Proceedings and Surveys, EDP Sciences, 2014, 45, pp.148 – 157. ⟨10.1051/proc/201445015⟩. ⟨hal-01435976⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01435976/file/proc144515.pdf BibTex
ref_biblio
Eric Cancès, Geneviève Dusson, Yvon Maday, Benjamin Stamm, Martin Vohralík. A perturbation-method-based a posteriori estimator for the planewave discretization of nonlinear Schrödinger equations. Comptes Rendus Mathématique, Elsevier Masson, 2014, 352 (11), pp.941-946. ⟨10.1016/j.crma.2014.09.014⟩. ⟨hal-00994568⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00994568/file/Cances_Dusson_Maday_Stamm_Vohralik.pdf BibTex
ref_biblio
Eric Cancès, Virginie Ehrlacher, Tony Lelièvre. Greedy Algorithms for High-Dimensional Eigenvalue Problems. Constructive Approximation, Springer Verlag, 2014, 40 (3), pp.387 – 423. ⟨10.1007/s00365-014-9266-y⟩. ⟨hal-00809855⟩
Accès au bibtex
BibTex
ref_biblio
Benjamin Jourdain, Tony Lelièvre, Błażej Miasojedow. Optimal scaling for the transient phase of Metropolis Hastings algorithms: the longtime behavior. Bernoulli, Bernoulli Society for Mathematical Statistics and Probability, 2014, 20 (4), pp.1930-1978. ⟨hal-00768855⟩
Accès au bibtex
https://arxiv.org/pdf/1212.5517 BibTex
ref_biblio
Eric Cancès, Virginie Ehrlacher, Yvon Maday. Non-consistent approximations of self-adjoint eigenproblems: Application to the supercell method. Numerische Mathematik, Springer Verlag, 2014, 128 (4), pp 663-706. ⟨10.1007/s00211-014-0626-0⟩. ⟨hal-00694017⟩
Accès au bibtex
BibTex
ref_biblio
Nicolas James, Alexandre Caboussat, Sébastien Boyaval, M. Picasso. Numerical simulation of 3D free surface flows, with multiple incompressible immiscible phases. Applications to impulse waves . International Journal for Numerical Methods in Fluids, Wiley, 2014, pp.00:1-24. ⟨hal-01074886⟩
Accès au bibtex
BibTex

Habilitation à diriger des recherches

ref_biblio
Mathias Rousset. Probability in computational physics and biology: some mathematical contributions. Probability [math.PR]. Université Paris-Est, 2014. ⟨tel-01435978⟩
Accès au texte intégral et bibtex
https://tel.archives-ouvertes.fr/tel-01435978/file/hdr.pdf BibTex

Preprints, Working Papers, …

ref_biblio
Mathias Rousset. A $N$-uniform quantitative Tanaka’s theorem for the conservative Kac’s $N$-particle system with Maxwell molecules.. 2014. ⟨hal-01020012v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01020012/file/paper.pdf BibTex
ref_biblio
Sébastien Brisard, Frédéric Legoll. Periodic homogenization using the Lippmann–Schwinger formalism. 2014. ⟨hal-01080251⟩
Accès au bibtex
https://arxiv.org/pdf/1411.0330 BibTex
ref_biblio
Houssam Alrachid, Virginie Ehrlacher, Alexis Marceau, Karim Tekkal. Statistical methods for critical scenarios in aeronautics. 2014. ⟨hal-01061369⟩
Accès au bibtex
https://arxiv.org/pdf/1409.1446 BibTex
ref_biblio
Charles-Edouard Bréhier. A short introduction to Stochastic PDEs. 2014. ⟨hal-00973887v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00973887/file/IntroSPDE.pdf BibTex

2013

Journal articles

ref_biblio
Matthew Dobson, Frédéric Legoll, Tony Lelièvre, Gabriel Stoltz. Derivation of Langevin Dynamics in a nonzero Background Flow Field. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2013, 47 (6), pp.1583-1626. ⟨10.1051/m2an/2013077⟩. ⟨hal-00680278⟩
Accès au bibtex
https://arxiv.org/pdf/1203.3773 BibTex
ref_biblio
Eric Cancès, Salma Lahbabi, Mathieu Lewin. Mean-field models for disordered crystals. Journal de Mathématiques Pures et Appliquées, Elsevier, 2013, 100 (2), pp.241-274. ⟨hal-00675594⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00675594/file/article.pdf BibTex
ref_biblio
David Benoit, Lingbing He, Claude Le Bris, Tony Lelièvre. Mathematical analysis of a one-dimensional model for an aging fluid. Mathematical Models and Methods in Applied Sciences, World Scientific Publishing, 2013, pp.1561-1602. ⟨10.1142/S0218202513500164⟩. ⟨hal-00676678⟩
Accès au bibtex
https://arxiv.org/pdf/1203.0928 BibTex
ref_biblio
Filippo Lipparini, Yvon Maday, Benjamin Stamm, Eric Cancès, Benedetta Mennucci. Fast Domain Decomposition Algorithm for Continuum Solvation Models: Energy and First Derivatives. Journal of Chemical Theory and Computation, American Chemical Society, 2013, 9, pp.3637-3648. ⟨10.1021/ct400280b⟩. ⟨hal-00956397⟩
Accès au bibtex
BibTex
ref_biblio
Claude Le Bris, Pierre Rouchon. Low-rank numerical approximations for high-dimensional Lindblad equations. Physical Review A, American Physical Society, 2013, 87 (2), pp.022125. ⟨10.1103/PhysRevA.87.022125⟩. ⟨hal-00941530⟩
Accès au bibtex
https://arxiv.org/pdf/1207.4580 BibTex
ref_biblio
François Bouchut, Sébastien Boyaval. A new model for shallow viscoelastic fluids. Mathematical Models and Methods in Applied Sciences, World Scientific Publishing, 2013, 23 (8), pp.1479-1526. ⟨10.1142/S0218202513500140⟩. ⟨hal-00628651v2⟩
Accès au texte intégral et bibtex
https://hal-enpc.archives-ouvertes.fr/hal-00628651/file/ms2.pdf BibTex
ref_biblio
Ismaila Dabo, Andrea Ferretti, Cheol-Hwan Park, Nicolas Poilvert, Yanli Li, et al.. Donor and acceptor levels of organic photovoltaic compounds from first principles. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2013, 15, pp.685-695. ⟨10.1039/C2CP43491A⟩. ⟨hal-00749316⟩
Accès au bibtex
https://arxiv.org/pdf/1210.7973 BibTex
ref_biblio
Xavier Blanc, Frédéric Legoll, Arnaud Anantharaman. Asymptotic Behavior of Green Functions of Divergence form Operators with Periodic Coefficients. Applied Mathematics Research eXpress, Oxford University Press (OUP): Policy H – Oxford Open Option A, 2013, 2013, pp.79 – 101. ⟨10.1093/amrx/abs013⟩. ⟨hal-01079280⟩
Accès au texte intégral et bibtex
https://hal.sorbonne-universite.fr/hal-01079280/file/blanc_legoll_anantharaman_AMRX_2013.pdf BibTex
ref_biblio
Mathias Rousset, Giovanni Samaey. Simulating individual-based models of bacterial chemotaxis with asymptotic variance reduction. Mathematical Models and Methods in Applied Sciences, World Scientific Publishing, 2013, 23 (12), pp.2155 – 2191. ⟨10.1142/S0218202513500292⟩. ⟨hal-00643324⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/hal-00643324/file/variance.pdf BibTex
ref_biblio
Eric Cancès, Claude Le Bris. Mathematical modeling of point defects in materials science. Mathematical Models and Methods in Applied Sciences, World Scientific Publishing, 2013, 23 (10), pp.1795. ⟨10.1142/S0218202513500528⟩. ⟨hal-00916157⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00916157/file/cances_lebris_2013.pdf BibTex
ref_biblio
Mathias Rousset, Giovanni Samaey. Individual-based models for bacterial chemotaxis in the diffusion asymptotics. Mathematical Models and Methods in Applied Sciences, World Scientific Publishing, 2013, 23 (11), pp.2005 – 2037. ⟨10.1142/S0218202513500243⟩. ⟨inria-00425065v2⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00425065/file/limits.pdf BibTex
ref_biblio
X. Dai, Claude Le Bris, Frédéric Legoll, Yvon Maday. Symmetric parareal algorithms for Hamiltonian systems. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2013, 47 (3), pp.717-742. ⟨hal-00541166⟩
Accès au bibtex
https://arxiv.org/pdf/1011.6222 BibTex
ref_biblio
Nicola Marzari, Oliviero Andreussi, Ismaila Dabo, Celine Dupont, N. Bonnet. Towards first-principles electrochemistry. Abstracts of Papers of the American Chemical Society, American Chemical Society, 2013, 245, pp.272-ENFL. ⟨hal-00964519⟩
Accès au bibtex
BibTex
ref_biblio
Frédéric Cérou, Arnaud Guyader, Tony Lelièvre, Florent Malrieu. On the length of one-dimensional reactive paths. ALEA : Latin American Journal of Probability and Mathematical Statistics, Instituto Nacional de Matemática Pura e Aplicada, 2013, 10 (1), pp.359-389. ⟨hal-00704704⟩
Accès au bibtex
https://arxiv.org/pdf/1206.0949 BibTex
ref_biblio
Matthew Dobson, Claude Le Bris, Frédéric Legoll. Symplectic schemes for highly oscillatory Hamiltonian systems: the homogenization approach beyond the constant frequency case. IMA Journal of Numerical Analysis, Oxford University Press (OUP), 2013, 33 (1), pp.30-56. ⟨hal-00524814⟩
Accès au bibtex
https://arxiv.org/pdf/1008.1030 BibTex
ref_biblio
Eric Cancès, Virginie Ehrlacher, Tony Lelièvre. Greedy algorithms for high-dimensional non-symmetric linear problems. ESAIM: Proceedings and Surveys, EDP Sciences, 2013, CANUM 2012, 41e Congrès National d’Analyse Numérique 41, pp.95 – 131. ⟨10.1051/proc/201341005 ⟩. ⟨hal-00745611⟩
Accès au bibtex
BibTex
ref_biblio
Frédéric Legoll, Tony Lelièvre, Giovanni Samaey. A micro-macro parareal algorithm: application to singularly perturbed ordinary differential equations. SIAM Journal on Scientific Computing, Society for Industrial and Applied Mathematics, 2013, 35 (4), pp.A1951-A1986. ⟨hal-00691939⟩
Accès au bibtex
https://arxiv.org/pdf/1204.5926 BibTex
ref_biblio
Ellad Tadmor, Frédéric Legoll, W. Kim, Laurent Dupuy, Ron Miller. Finite-Temperature Quasi-Continuum. Applied Mechanics Reviews, American Society of Mechanical Engineers, 2013, 65 (1), pp.010803. ⟨10.1115/1.4023013⟩. ⟨hal-00849048⟩
Accès au bibtex
BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll, Alexei Lozinski. MsFEM à la Crouzeix-Raviart for Highly Oscillatory Elliptic Problems. Chinese Annals of Mathematics – Series B, Springer Verlag, 2013, 34 (1), pp.113-138. ⟨10.1007/s11401-012-0755-7⟩. ⟨hal-00789102⟩
Accès au bibtex
BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll, Kun Li. Approximation grossière d’un problème elliptique à coefficients hautement oscillants (Coarse approximation of an elliptic problem with highly oscillatory coefficients). Comptes Rendus Mathématique, Elsevier Masson, 2013, 351 (7-8), pp.265-270. ⟨10.1016/j.crma.2013.04.008⟩. ⟨hal-00834895⟩
Accès au bibtex
BibTex
ref_biblio
Sébastien Boyaval, M. Picasso. A posteriori analysis of Chorin-Temam scheme for Stokes equations. Comptes Rendus Mathématique, Elsevier Masson, 2013, 351 (23-24), pp.931-936. ⟨10.1016/j.crma.2013.10.026⟩. ⟨hal-00876069⟩
Accès au texte intégral et bibtex
https://hal-enpc.archives-ouvertes.fr/hal-00876069/file/boyaval-picasso-final.pdf BibTex
ref_biblio
Xavier Blanc, Frédéric Legoll. A numerical strategy for coarse-graining two-dimensional atomistic models at finite temperature: the membrane case. Computational Materials Science, Elsevier, 2013, 66, pp.84-95. ⟨hal-00627294⟩
Accès au bibtex
https://arxiv.org/pdf/1109.5978 BibTex
ref_biblio
Eric Cancès, Yvon Maday, Benjamin Stamm. Domain decomposition for implicit solvation models. Journal of Chemical Physics, American Institute of Physics, 2013, 139, pp.054111. ⟨10.1063/1.4816767⟩. ⟨hal-00916139⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00916139/file/cances_maday_stamm_DD_COSMO.pdf BibTex
ref_biblio
Tony Lelièvre, Francis Nier, Grigorios A. Pavliotis. Optimal non-reversible linear drift for the convergence to equilibrium of a diffusion. Journal of Statistical Physics, Springer Verlag, 2013, 152 (2), pp.237-274. ⟨10.1007/s10955-013-0769-x⟩. ⟨hal-00761688⟩
Accès au bibtex
https://arxiv.org/pdf/1212.0876 BibTex
ref_biblio
Salma Lahbabi, Frédéric Legoll. Effective dynamics for a kinetic Monte-Carlo model with slow and fast time scales. Journal of Statistical Physics, Springer Verlag, 2013, 153 (6), pp.931-966. ⟨hal-00772489⟩
Accès au bibtex
https://arxiv.org/pdf/1301.0266 BibTex
ref_biblio
Salma Lahbabi. The Reduced Hartree-Fock Model for Short-Range Quantum Crystals with Nonlocal Defects. Annales Henri Poincaré, Springer Verlag, 2013, pp.1-50. ⟨10.1007/s00023-013-0283-3⟩. ⟨hal-00797094⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00797094/file/article_5_Mars_12.pdf BibTex
ref_biblio
Gérard Ben Arous, Yueyun Hu, Stefano Olla, Ofer Zeitouni. Einstein relation for biased random walk on Galton–Watson trees. Annales de l’Institut Henri Poincaré (B) Probabilités et Statistiques, Institute Henri Poincaré, 2013, 49 (3), pp.698-721. ⟨10.1214/12-AIHP486⟩. ⟨hal-00658664⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00658664/file/BHOZ-7.pdf BibTex

Conference papers

ref_biblio
Matthew Dobson, Frédéric Legoll, Tony Lelièvre, Gabriel Stoltz. Une équation de Langevin pour la simulation à l’échelle atomistique de fluides hors-équilibre. 11e colloque national en calcul des structures, CSMA, May 2013, Giens, France. ⟨hal-01722086⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01722086/file/a_531HTWLO.pdf BibTex

Book sections

ref_biblio
T Lelièvre. Two Mathematical Tools to Analyze Metastable Stochastic Processes. Cangiani, A and Davidchack, R.L and Georgoulis, E and Gorban, A and Levesley, J and Tretyakov, M.V. Numerical Mathematics and Advanced Applications 2011, Springer, pp.791-810, 2013. ⟨hal-00964985⟩
Accès au bibtex
BibTex

Poster communications

ref_biblio
Laurent Charpin, Florian Thomines, Alain Ehrlacher. Comparison of Homogenization Schemes to Periodic and Random Simulations. Netherlands. 2012. ⟨hal-00843902⟩
Accès au texte intégral et bibtex
https://hal-enpc.archives-ouvertes.fr/hal-00843902/file/poster_Euromech.pdf BibTex

Theses

ref_biblio
José Arturo Infante Acevedo. Numerical methods and models in market risk and financial valuations Area. Analysis of PDEs [math.AP]. Université Paris-Est, 2013. English. ⟨tel-00937131⟩
Accès au texte intégral et bibtex
https://tel.archives-ouvertes.fr/tel-00937131/file/these_envoi.pdf BibTex
ref_biblio
Salma Lahbabi. Mathematical study of quantum and classical models for random materials in the atomic scale. Mathematical Physics [math-ph]. Université de Cergy Pontoise, 2013. English. ⟨tel-00873213⟩
Accès au texte intégral et bibtex
https://tel.archives-ouvertes.fr/tel-00873213/file/Thesis.pdf BibTex

Preprints, Working Papers, …

ref_biblio
Mathias Rousset. Scalable and Quasi-Contractive Markov Coupling of Maxwell Collision. 2013. ⟨hal-00915495v3⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00915495/file/paper.pdf BibTex
ref_biblio
Fabien Casenave, Alexandre Ern, Tony Lelièvre, Guillaume Sylvand. A nonintrusive method to approximate linear systems with nonlinear parameter dependence. 2013. ⟨hal-00845822⟩
Accès au bibtex
https://arxiv.org/pdf/1307.4330 BibTex

2012

Journal articles

ref_biblio
Stefano Olla, Makiko Sasada. Macroscopic energy diffusion for a chain of anharmonic oscillators. Probability Theory and Related Fields, Springer Verlag, 2012, 157 (3-4), pp.721-775. ⟨10.1007/s00440-012-0469-5⟩. ⟨hal-00626266v3⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00626266/file/osa241012s.pdf BibTex
ref_biblio
Burak Himmetoglu, Alex Marchenko, Ismaila Dabo, Matteo Cococcioni. Role of electronic localization in the phosphorescence of iridium sensitizing dyes. Journal of Chemical Physics, American Institute of Physics, 2012, 137 (15), pp.154309. ⟨10.1063/1.4757286⟩. ⟨hal-00743564⟩
Accès au bibtex
BibTex
ref_biblio
Sébastien Boyaval. A fast Monte-Carlo method with a Reduced Basis of Control Variates applied to Uncertainty Propagation and Bayesian Estimation. Computer Methods in Applied Mechanics and Engineering, Elsevier, 2012, 241-244, pp.190-205. ⟨10.1016/j.cma.2012.05.003⟩. ⟨hal-00666264⟩
Accès au texte intégral et bibtex
https://hal-enpc.archives-ouvertes.fr/hal-00666264/file/bayesian.pdf BibTex
ref_biblio
Ismaila Dabo. Resilience of gas-phase anharmonicity in the vibrational response of adsorbed carbon monoxide and breakdown under electrical conditions. Physical Review B : Condensed matter and materials physics, American Physical Society, 2012, 86, pp.035139. ⟨10.1103/PhysRevB.86.035139⟩. ⟨hal-00717145⟩
Accès au bibtex
https://arxiv.org/pdf/1207.2684 BibTex
ref_biblio
Marc Blanchard, Guillaume Morin, Michele Lazzeri, Etienne Balan, Ismaila Dabo. First-principles simulation of arsenate adsorption on the (11̄2) surface of hematite. Geochimica et Cosmochimica Acta, Elsevier, 2012, 86, pp.182. ⟨hal-00745480⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cancès, Rachida Chakir, Yvon Maday. Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2012, 46 (02), pp.341-388. ⟨10.1051/m2an/2011038⟩. ⟨hal-00471938⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00471938/file/R10017.pdf BibTex
ref_biblio
Oliviero Andreussi, Ismaila Dabo, Nicola Marzari. Revised self-consistent continuum solvation in electronic-structure calculations. Journal of Chemical Physics, American Institute of Physics, 2012, 136, pp.064102. ⟨10.1063/1.3676407⟩. ⟨hal-00655013⟩
Accès au bibtex
https://arxiv.org/pdf/1112.5332 BibTex
ref_biblio
Arnaud Anantharaman, Claude Le Bris. Elements of mathematical foundations for a numerical approach for weakly random homogenization problems. Communications in Computational Physics, Global Science Press, 2012, 11 (4), pp.1103-1143. ⟨hal-00487762⟩
Accès au bibtex
https://arxiv.org/pdf/1005.3922 BibTex
ref_biblio
Xavier Blanc, Ronan Costaouec, Claude Le Bris, Frédéric Legoll. Variance reduction in stochastic homogenization using antithetic variables. Markov Processes and Related Fields, Polymath, 2012, 18 (1), pp.31-66. ⟨hal-00794038⟩
Accès au bibtex
BibTex
ref_biblio
Claude Le Bris, Florian Thomines. A reduced basis approach for some weakly stochastic multiscale problems. Chinese Annals of Mathematics – Series B, Springer Verlag, 2012, 33 (5), pp.657-672. ⟨10.1007/s11401-012-0736-x⟩. ⟨hal-01157372⟩
Accès au bibtex
BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll, Florian Thomines. Rate of convergence of a two-scale expansion for some “weakly” stochastic homogenization problems. Asymptotic Analysis, IOS Press, 2012, 80 (3-4), pp.237-267. ⟨hal-00637493⟩
Accès au bibtex
https://arxiv.org/pdf/1110.5206 BibTex
ref_biblio
Cedric Bernardin, Gabriel Stoltz. Anomalous diffusion for a class of systems with two conserved quantities. Nonlinearity, IOP Publishing, 2012, 25, pp.1099-1133. ⟨ensl-00909792⟩
Accès au texte intégral et bibtex
https://hal-ens-lyon.archives-ouvertes.fr/ensl-00909792/file/bernardin_stoltz_thermal-01-11-11C.pdf BibTex

Book sections

ref_biblio
Xavier Blanc, Ronan Costaouec, Claude Le Bris, Frédéric Legoll. Variance reduction in stochastic homogenization: the technique of antithetic variables. Numerical Analysis and Multiscale Computations, Springer-Verlag, pp.vol. 82, 47-70, 2012, Lecture Notes in Computational Science and Engineering, ⟨10.1007/978-3-642-21943-6_3⟩. ⟨hal-00626012⟩
Accès au bibtex
BibTex
ref_biblio
Frédéric Legoll, Tony Lelièvre. Some remarks on free energy and coarse-graining. 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. ⟨hal-00511221⟩
Accès au bibtex
https://arxiv.org/pdf/1008.3792 BibTex
ref_biblio
Jean-Frédéric Gerbeau, Claude Le Bris, Tony Lelièvre. Modelling the instabilities in aluminum reduction cells. 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. ⟨hal-00860246⟩
Accès au bibtex
BibTex

Habilitation à diriger des recherches

ref_biblio
Gabriel Stoltz. Simulation moléculaire : Problèmes dynamiques et hors d’équilibre. Analyse numérique [math.NA]. Université Paris-Est, 2012. ⟨tel-00709965⟩
Accès au texte intégral et bibtex
https://tel.archives-ouvertes.fr/tel-00709965/file/hdr.pdf BibTex

Preprints, Working Papers, …

ref_biblio
Tony Lelièvre. Two mathematical tools to analyze metastable stochastic processes. 2012. ⟨hal-00661385⟩
Accès au bibtex
https://arxiv.org/pdf/1201.3775 BibTex

2011

Journal articles

ref_biblio
Alessandra Iacobucci, Frédéric Legoll, Stefano Olla, Gabriel Stoltz. Negative thermal conductivity of chains of rotors with mechanical forcing. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, American Physical Society, 2011, 84, pp.061108. ⟨10.1103/PhysRevE.84.061108⟩. ⟨hal-00608036⟩
Accès au bibtex
https://arxiv.org/pdf/1107.1766 BibTex
ref_biblio
Carlangelo Liverani, Stefano Olla. Toward the Fourier law for a weakly interacting anharmonic crystal. Journal of the American Mathematical Society, American Mathematical Society, 2011, 25 (2012), pp.555-583. ⟨10.1090/S0894-0347-2011-00724-8⟩. ⟨hal-00492016⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00492016/file/wf-50c.pdf BibTex
ref_biblio
Ismaila Dabo, Boris Kozinsky, Nicholas E. Singh-Miller, Nicola Marzari. Erratum: Electrostatics in periodic boundary conditions and real-space corrections [Phys. Rev. B 77, 115139 (2008)]. Physical Review B : Condensed matter and materials physics, American Physical Society, 2011, 84 (15), 2 p. ⟨10.1103/PhysRevB.84.159910⟩. ⟨hal-00654580⟩
Accès au bibtex
BibTex
ref_biblio
Cedric Bernardin, Stefano Olla. Transport Properties of a Chain of Anharmonic Oscillators with random flip of velocities: Oscillators chain with random flip of velocities. Journal of Statistical Physics, Springer Verlag, 2011, 145 (5), pp.1224-1255. ⟨10.1007/s10955-011-0385-6⟩. ⟨ensl-00589672v2⟩
Accès au texte intégral et bibtex
https://hal-ens-lyon.archives-ouvertes.fr/ensl-00589672/file/frigo23082011C.pdf BibTex
ref_biblio
Alexandre Ern, Rémi Joubaud, Tony Lelièvre. Numerical study of a thin liquid film flowing down an inclined wavy plane. Physica D: Nonlinear Phenomena, Elsevier, 2011, 240 (21), pp.1714-1723. ⟨10.1016/j.physd.2011.07.007⟩. ⟨hal-00533000v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00533000/file/paperR.pdf BibTex
ref_biblio
Giovanni Samaey, Tony Lelièvre, Vincent Legat. A numerical closure approach for kinetic models of polymeric fluids: Exploring closure relations for FENE dumbbells. Computers and Fluids, Elsevier, 2011, 43 (1), pp.119-133. ⟨10.1016/j.compfluid.2010.06.023⟩. ⟨hal-00654570⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cancès, Virginie Ehrlacher. Local defects are always neutral in the Thomas-Fermi-von Weiszäcker theory of crystals. Archive for Rational Mechanics and Analysis, Springer Verlag, 2011, 202 (3), pp.933-973. ⟨10.1007/s00205-011-0440-0⟩. ⟨hal-00502903⟩
Accès au bibtex
https://arxiv.org/pdf/1007.2603 BibTex
ref_biblio
Tony Lelièvre, Kimiya Minoukadeh. Long-time convergence of an Adaptive Biasing Force method: the bi-channel case. Archive for Rational Mechanics and Analysis, Springer Verlag, 2011, 202 (1), pp.1-34. ⟨10.1007/s00205-011-0426-y⟩. ⟨hal-00477302v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00477302/file/Bichannel.pdf BibTex
ref_biblio
Arnaud Anantharaman, Claude Le Bris. A numerical approach related to defect-type theories for some weakly random problems in homogenization. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2011, 9 (2), pp.513-544. ⟨10.1137/10079639X⟩. ⟨hal-00487759⟩
Accès au bibtex
https://arxiv.org/pdf/1005.3910 BibTex
ref_biblio
John W. Barrett, Sébastien Boyaval. Existence and approximation of a (regularized) Oldroyd-B model. Mathematical Models and Methods in Applied Sciences, World Scientific Publishing, 2011, 21 (9), pp.1783-1837. ⟨10.1142/S0218202511005581⟩. ⟨hal-00409594⟩
Accès au bibtex
https://arxiv.org/pdf/0907.4066 BibTex
ref_biblio
Nicolas Chopin, Tony Lelièvre, Gabriel Stoltz. Free Energy Methods for Bayesian Inference: Efficient Exploration of Univariate Gaussian Mixture Posteriors. Statistics and Computing, Springer Verlag (Germany), 2011, 20 p. ⟨10.1007/s11222-011-9257-9⟩. ⟨hal-00460914⟩
Accès au bibtex
https://arxiv.org/pdf/1003.0428 BibTex
ref_biblio
Eric Cances, Virginie Ehrlacher, Tony Lelièvre. Convergence of a greedy algorithm for high-dimensional convex nonlinear problems. Mathematical Models and Methods in Applied Sciences, World Scientific Publishing, 2011, 21 (12), pp.2433-2467. ⟨10.1142/S0218202511005799⟩. ⟨hal-00469622⟩
Accès au bibtex
https://arxiv.org/pdf/1004.0095 BibTex
ref_biblio
Chris Chipot, Tony Lelièvre. Enhanced sampling of multidimensional free-energy landscapes using adaptive biasing forces. SIAM Journal on Applied Mathematics, Society for Industrial and Applied Mathematics, 2011, 71 (5), pp.1673-1695. ⟨10.1137/10080600X⟩. ⟨hal-00510981⟩
Accès au bibtex
https://arxiv.org/pdf/1008.3457 BibTex
ref_biblio
Yanli Li, Ismaila Dabo. Electronic levels and electrical response of periodic molecular structures from plane-wave orbital-dependent calculations. Physical Review B : Condensed matter and materials physics, American Physical Society, 2011, 84 (15), 11 p. ⟨10.1103/PhysRevB.84.155127⟩. ⟨hal-00608200⟩
Accès au bibtex
https://arxiv.org/pdf/1107.2047 BibTex
ref_biblio
Alexandre Caboussat, Sébastien Boyaval, Alexandre Masserey. On the Modeling and Simulation of Non-Hydrostatic Dam Break Flows. Computing and Visualization in Science, Springer Verlag, 2011, 14 (8), pp.401-417. ⟨10.1007/s00791-013-0190-7⟩. ⟨hal-00808087⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00808087/file/CabBoyMas.pdf BibTex
ref_biblio
Emeric Bourasseau, Jean-Bernard Maillet, Nicolas Desbiens, Gabriel Stoltz. Microscopic calculations of Hugoniot curves of neat TATB and of its detonation products. Journal of Physical Chemistry A, American Chemical Society, 2011, 115 (39), pp.10729-10737. ⟨10.1021/jp2047739⟩. ⟨hal-00595191⟩
Accès au bibtex
https://arxiv.org/pdf/1105.4522 BibTex
ref_biblio
Frédéric Cérou, Arnaud Guyader, Tony Lelièvre, David Pommier. A multiple replica approach to simulate reactive trajectories. Journal of Chemical Physics, American Institute of Physics, 2011, 134 (5), 054108 (16 p.). ⟨10.1063/1.3518708⟩. ⟨hal-00506047⟩
Accès au bibtex
https://arxiv.org/pdf/1007.4481 BibTex

Book sections

ref_biblio
Arnaud Anantharaman, Ronan Costaouec, Claude Le Bris, Frédéric Legoll, Florian Thomines. Introduction to numerical stochastic homogenization and the related computational challenges: some recent developments. Weizhu Bao and Qiang Du. Multiscale modeling and analysis for materials simulation, World Scientific, 2011, Lecture Notes Series, Institute for Mathematical Sciences, National University of Singapore ; vol. 22. ⟨hal-00624354⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cancès, Mathieu Lewin, Gabriel Stoltz. The Microscopic Origin of the Macroscopic Dielectric Permittivity of Crystals: A Mathematical Viewpoint. Björn Engquist, Olof Runborg and Yen-Hsi R. Tsai. Numerical Analysis of Multiscale Computations. Proceedings of a Winter Workshop at the Banff International Research Station 2009, Springer, pp.87–125, 2011, Lecture Notes in Computational Science and Engineering, ⟨10.1007/978-3-642-21943-6⟩. ⟨hal-00527022⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00527022/file/cances_lewin_stoltz.pdf BibTex

Habilitation à diriger des recherches

ref_biblio
Frédéric Legoll. Contributions à l’étude mathématique et numérique de quelques modèles en simulation multi-échelle des matériaux. Analyse numérique [math.NA]. Université Pierre et Marie Curie – Paris VI, 2011. ⟨tel-00783334⟩
Accès au texte intégral et bibtex
https://tel.archives-ouvertes.fr/tel-00783334/file/HDR_Legoll.pdf BibTex

Reports

ref_biblio
Alexandre Ern, Remi Joubaud, Tony Lelièvre. Mathematical study of non-ideal electrostatic correlations in equilibrium electrolytes. 2011. ⟨hal-00654736⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00654736/file/paper_iop.pdf BibTex

Preprints, Working Papers, …

ref_biblio
Amandine Aftalion, Francis Nier. Adiabatic approximation for a two-level atom in a light beam. 2011. ⟨hal-00641565v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00641565/file/adiabAjan.pdf BibTex
ref_biblio
Eric Cancès, Virginie Ehrlacher, Yvon Maday. Periodic Schrödinger operators with local defects and spectral pollution. 2011. ⟨hal-00641961⟩
Accès au bibtex
https://arxiv.org/pdf/1111.3892 BibTex
ref_biblio
Eric Cances, Gabriel Stoltz. A mathematical formulation of the random phase approximation for crystals. 2011. ⟨hal-00622929⟩
Accès au bibtex
https://arxiv.org/pdf/1109.2416 BibTex
ref_biblio
Cheol-Hwan Park, Andrea Ferretti, Ismaila Dabo, Nicolas Poilvert, Nicola Marzari. Variational Minimization of Orbital-dependent Density Functionals. 2011. ⟨hal-00617719⟩
Accès au bibtex
https://arxiv.org/pdf/1108.5726 BibTex
ref_biblio
Jean-Bernard Maillet, Germain Vallverdu, Nicolas Desbiens, Gabriel Stoltz, Emeric Bourasseau. Molecular Simulations of Shock to Detonation Transition in Nitromethane. 2011. ⟨hal-00609415⟩
Accès au bibtex
https://arxiv.org/pdf/1107.3453 BibTex
ref_biblio
Lingbing He, Claude Le Bris, Tony Lelièvre. Periodic long-time behaviour for an approximate model of nematic polymers. 2011. ⟨inria-00609763⟩
Accès au bibtex
https://arxiv.org/pdf/1107.3592 BibTex
ref_biblio
Remi Joubaud, Gabriel Stoltz. Nonequilibrium shear viscosity computations with Langevin dynamics. 2011. ⟨hal-00598257⟩
Accès au bibtex
https://arxiv.org/pdf/1106.0633 BibTex
ref_biblio
Claude Le Bris, Tony Lelièvre, M. Luskin, D. Perez. A mathematical formalization of the parallel replica dynamics. 2011. ⟨hal-00596161⟩
Accès au bibtex
https://arxiv.org/pdf/1105.4636 BibTex
ref_biblio
Cedric Bernardin, Gabriel Stoltz. Anomalous diffusion for a class of systems with two conserved quantities. 2011. ⟨hal-00593617⟩
Accès au bibtex
https://arxiv.org/pdf/1105.2618 BibTex
ref_biblio
C. Le Bris, T. Lelièvre. Micro-macro models for viscoelastic fluids: modelling, mathematics and numerics. 2011. ⟨hal-00562325⟩
Accès au bibtex
https://arxiv.org/pdf/1102.0325 BibTex

2010

Journal articles

ref_biblio
Frédéric Legoll, Tony Lelièvre. Effective dynamics using conditional expectations. Nonlinearity, IOP Publishing, 2010, 23 (9), pp.2131-2163. ⟨10.1088/0951-7715/23/9/006⟩. ⟨hal-00399986⟩
Accès au bibtex
https://arxiv.org/pdf/0906.4865 BibTex
ref_biblio
Kimiya Minoukadeh, Christophe Chipot, Tony Lelièvre. Potential of Mean Force Calculations: A Multiple-Walker Adaptive Biasing Force Approach. Journal of Chemical Theory and Computation, American Chemical Society, 2010, 6 (4), pp.1008-1017. ⟨10.1021/ct900524t⟩. ⟨hal-00674607⟩
Accès au bibtex
BibTex
ref_biblio
Xavier Blanc, Claude Le Bris. Improving on computation of homogenized coefficients in the periodic and quasi-periodic settings. Networks and Heterogeneous Media, AIMS-American Institute of Mathematical Sciences, 2010, 5 (1), pp.1-29. ⟨10.3934/nhm.2010.5.1⟩. ⟨hal-00625537⟩
Accès au bibtex
BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll. Integrators for highly oscillatory Hamiltonian systems: an homogenization approach. Discrete and Continuous Dynamical Systems – Series B, American Institute of Mathematical Sciences, 2010, 13 (2), pp.347-373. ⟨inria-00165293v2⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00165293/file/lebris_legoll_preprint_inria_v2.pdf BibTex
ref_biblio
Xavier Blanc, Claude Le Bris, Frédéric Legoll, Tony Lelièvre. Beyond multiscale and multiphysics: Multimaths for model coupling. Networks and Heterogeneous Media, AIMS-American Institute of Mathematical Sciences, 2010, 5 (3), pp.423–460. ⟨10.3934/nhm.2010.5.423⟩. ⟨hal-00524822⟩
Accès au bibtex
BibTex
ref_biblio
Sébastien Boyaval, Tony Lelièvre. A Variance Reduction Method for Parametrized Stochastic Differential Equations using the Reduced Basis Paradigm. Communications in Mathematical Sciences, International Press, 2010, 8 (3), pp.735-762. ⟨hal-00402702⟩
Accès au bibtex
https://arxiv.org/pdf/0906.3600 BibTex
ref_biblio
Eric Cancès, Mathieu Lewin. The Dielectric Permittivity of Crystals in the reduced Hartree-Fock approximation. Archive for Rational Mechanics and Analysis, Springer Verlag, 2010, 197 (1), pp.139-177. ⟨10.1007/s00205-009-0275-0⟩. ⟨inria-00367408⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00367408/file/linear_response_v5.pdf BibTex
ref_biblio
Sébastien Boyaval, Claude Le Bris, Tony Lelièvre, Yvon Maday, Ngoc Cuong Nguyen, et al.. Reduced basis techniques for stochastic problems. Archives of Computational Methods in Engineering, Springer Verlag, 2010, 17 (4), pp.435-454. ⟨10.1007/s11831-010-9056-z⟩. ⟨hal-00470522⟩
Accès au bibtex
https://arxiv.org/pdf/1004.0357 BibTex
ref_biblio
William Hager, Guy Bencteux, Eric Cancès, Claude Le Bris. Analysis of a Quadratic Programming Decomposition Algorithm. SIAM Journal on Numerical Analysis, Society for Industrial and Applied Mathematics, 2010, 47 (6), pp.4517-4539. ⟨10.1137/070701728⟩. ⟨hal-00625494⟩
Accès au bibtex
BibTex
ref_biblio
Ismaila Dabo, Andrea Ferretti, Nicolas Poilvert, Yanli Li, Nicola Marzari, et al.. Koopmans’ condition for density-functional theory. Physical Review B : Condensed matter and materials physics, American Physical Society, 2010, 82 (11), pp.115121. ⟨10.1103/PhysRevB.82.115121⟩. ⟨hal-00509584⟩
Accès au bibtex
https://arxiv.org/pdf/1008.1934 BibTex
ref_biblio
Ronan Costaouec, Claude Le Bris, Frédéric Legoll. Approximation numérique d’une classe de problèmes en homogénéisation stochastique. Comptes rendus de l’Académie des sciences. Série I, Mathématique, Elsevier, 2010, 348 (1-2), pp.99–103. ⟨10.1016/j.crma.2009.10.027⟩. ⟨hal-00524819⟩
Accès au bibtex
BibTex
ref_biblio
Matthew Dobson, Claude Le Bris, Frédéric Legoll. Symplectic schemes for highly oscillatory Hamiltonian systems with varying fast frequencies. Comptes rendus de l’Académie des sciences. Série I, Mathématique, Elsevier, 2010, 348 (17-18), pp.1033-1038. ⟨10.1016/j.crma.2010.08.005⟩. ⟨hal-00524816⟩
Accès au bibtex
BibTex
ref_biblio
Filippo Lipparini, Giovanni Scalmani, Benedetta Mennucci, Eric Cancès, Marco Caricato, et al.. A variational formulation of the polarizable continuum model. Journal of Chemical Physics, American Institute of Physics, 2010, 133 (1), pp.014106. ⟨10.1063/1.3454683⟩. ⟨hal-00674585⟩
Accès au bibtex
BibTex
ref_biblio
Xavier Blanc, Claude Le Bris, Frédéric Legoll, Carsten Patz. Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches. Journal of Nonlinear Science, Springer Verlag, 2010, 20 (2), pp.241-275. ⟨10.1007/s00332-009-9057-y⟩. ⟨inria-00282107v2⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00282107/file/RR-6544.pdf BibTex
ref_biblio
Ali Faraj, Andrea Mantile, Francis Nier. An explicit model for the adiabatic evolution of quantum observables driven by 1D shape resonances. Journal of Physics A: Mathematical and Theoretical, IOP Publishing, 2010, 43 (47), 28 p. ⟨10.1088/1751-8113/43/47/474025⟩. ⟨hal-00492984⟩
Accès au bibtex
https://arxiv.org/pdf/1006.0606 BibTex
ref_biblio
Alessandra Iacobucci, Frédéric Legoll, Stefano Olla, Gabriel Stoltz. Thermal conductivity of the Toda lattice with conservative noise. Journal of Statistical Physics, Springer Verlag, 2010, 140 (2), pp.336-348. ⟨10.1007/s10955-010-9996-6⟩. ⟨hal-00442063⟩
Accès au bibtex
https://arxiv.org/pdf/0912.3416 BibTex
ref_biblio
Eric Cancès, Rachida Chakir, Yvon Maday. Numerical analysis of nonlinear eigenvalue problems. Journal of Scientific Computing, Springer Verlag, 2010, 45 (1-3), pp.90-117. ⟨10.1007/s10915-010-9358-1⟩. ⟨hal-00392025⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00392025/file/R09021.pdf BibTex
ref_biblio
Bradley M. Dickson, Frédéric Legoll, Tony Lelièvre, Gabriel Stoltz, Paul Fleurat-Lessard. Free energy calculations: An efficient adaptive biasing potential method. Journal of Physical Chemistry B, American Chemical Society, 2010, 114 (17), pp.5823-5830. ⟨10.1021/jp100926h⟩. ⟨hal-00431332⟩
Accès au bibtex
https://arxiv.org/pdf/0911.2090 BibTex

Books

ref_biblio
Tony Lelièvre, Mathias Rousset, Gabriel Stoltz. Free energy computation: a mathematical perspective.. Imperial College Press, pp.1-472, 2010, 978-1848162471. ⟨hal-00781565⟩
Accès au bibtex
BibTex

Reports

ref_biblio
Ronan Costaouec, Claude Le Bris, Frédéric Legoll. Variance reduction in stochastic homogenization : proof of concept, using antithetic variables. [Research Report] RR-7207, Inria. 2010, pp.1-21. ⟨inria-00457946⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00457946/file/RR-7207.pdf BibTex
ref_biblio
Mathias Rousset. On a probabilistic interpretation of shape derivatives of Dirichlet groundstates with application to Fermion nodes.. [Research Report] 2010. ⟨inria-00447396⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00447396/file/paper.pdf BibTex

Preprints, Working Papers, …

ref_biblio
Ismaila Dabo, E. Cancès, Y. L. Li, Nicola Marzari. Towards First-principles Electrochemistry. 2010. ⟨hal-00537281⟩
Accès au bibtex
https://arxiv.org/pdf/0901.0096 BibTex
ref_biblio
Tony Lelièvre, Mathias Rousset, Gabriel Stoltz. Langevin dynamics with constraints and computation of free energy differences. 2010. ⟨hal-00495517⟩
Accès au bibtex
https://arxiv.org/pdf/1006.4914 BibTex

2009

Journal articles

ref_biblio
Erwan Faou, Tony Lelièvre. Conservative stochastic differential equations: Mathematical and numerical analysis. Mathematics of Computation, American Mathematical Society, 2009, 78 (268), pp.2047-2074. ⟨10.1090/S0025-5718-09-02220-0⟩. ⟨hal-00687269⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cances, Gabriel Stoltz, Gustavo E. Scuseria, Viktor N. Staroverov, Ernest R. Davidson. Local Exchange Potentials for Electronic Structure Calculations. MathematicS In Action, Société de Mathématiques Appliquées et Industrielles, 2009, 2 (1), pp.1-42. ⟨hal-00186926⟩
Accès au bibtex
https://arxiv.org/pdf/0711.1818 BibTex
ref_biblio
E. Cancès, Frédéric Legoll, M. -C. Marinica, K. Minoukadeh, F. Willaime. Some improvements of the ART method for finding transition pathways on potential energy surfaces. Journal of Chemical Physics, American Institute of Physics, 2009, 130, pp.114711. ⟨10.1063/1.3088532⟩. ⟨hal-00407176⟩
Accès au bibtex
https://arxiv.org/pdf/0806.4354 BibTex
ref_biblio
Frédéric Legoll, Mitchell Luskin, Richard Moeckel. Non-ergodicity of Nosé-Hoover dynamics. Nonlinearity, IOP Publishing, 2009, 22 (7), pp.1673-1694. ⟨hal-00534914⟩
Accès au bibtex
BibTex

Conference papers

ref_biblio
Liverani Carlangelo, Stefano Olla. Heat equation from microscopic dynamics: a weak coupling approach. ICMP’09 : XVIth International Congress on Mathematical Physics, Aug 2009, Prague, Czech Republic. pp.397-400, ⟨10.1142/9789814304634_0029⟩. ⟨hal-00701620⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00701620/file/0305olla_PROOF.pdf BibTex

Book sections

ref_biblio
Frédéric Legoll. Multiscale methods coupling atomistic and continuum mechanics: some examples of mathematical analysis. Analytical and Numerical Aspects of Partial Differential Equations, de Gruyter, pp.193-245, 2009, Proceedings in Mathematics. ⟨hal-00519766⟩
Accès au bibtex
BibTex

Reports

ref_biblio
Xavier Blanc, Claude Le Bris. Improving on computation of homogenized coefficients in the periodic and quasi-periodic settings. [Research Report] 2009, pp.35. ⟨inria-00387214⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00387214/file/blanc-lebris.pdf BibTex

Preprints, Working Papers, …

ref_biblio
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, et al.. Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials. 2009. ⟨hal-00717147⟩
Accès au bibtex
https://arxiv.org/pdf/0906.2569 BibTex

2008

Journal articles

ref_biblio
David Benoit, Jean-Roch Vaillé, Jérôme Lautissier, SÉverine Matias-Vaille, JosÉ Isturiz, et al.. Feasibility of Fibered Monitoring System for Pulsed Dose-Rate Facilities Based on Radioluminescence of SrS:Ce,Sm Phosphor. IEEE Transactions on Nuclear Science, Institute of Electrical and Electronics Engineers, 2008, 55 (6), pp.3421 – 3427. ⟨10.1109/TNS.2008.2006487⟩. ⟨hal-01630282⟩
Accès au bibtex
BibTex
ref_biblio
Julien Salomon, Gabriel Turinici, Mohamed Belhadj. A stable toolkit method in quantum control. Journal Physics A, 2008, 41, pp.362001-362011. ⟨10.1088/1751-8113/41/36/362001⟩. ⟨hal-00363424⟩
Accès au bibtex
BibTex
ref_biblio
Claude Le Bris, Pierre-Louis Lions. Existence and Uniqueness of Solutions to Fokker-Planck Type Equations with Irregular Coefficients. Communications in Partial Differential Equations, Taylor & Francis, 2008, 33 (7), pp.1272-1317. ⟨10.1080/03605300801970952⟩. ⟨hal-00667315⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cancès, Claude Le Bris, Pierre-Louis Lions. Molecular simulation and related topics : some open mathematical problems. Nonlinearity, IOP Publishing, 2008, 21 (9), pp.T165-T176. ⟨10.1088/0951-7715/21/9/T03⟩. ⟨hal-00667319⟩
Accès au bibtex
BibTex
ref_biblio
David Benoit, Federico Ravotti, Pierre Garcia, Hildegarde Prevost, Dominique Lapraz, et al.. Characterization of an optically stimulated luminescence (OSL) material for thermal neutron detection: SrS:Ce,Sm,B. physica status solidi (a), Wiley, 2008, 205 (5), pp.1196 – 1202. ⟨10.1002/pssa.200723563⟩. ⟨hal-01630124⟩
Accès au bibtex
BibTex
ref_biblio
Antoine Gloria. Stochastic diffeomorphisms and homogenization of multiple integrals. Applied Mathematics Research eXpress, Oxford University Press (OUP): Policy H – Oxford Open Option A, 2008, 2008 (abn001), pp.1-23. ⟨10.1093/amrx/abn001⟩. ⟨inria-00176568v2⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00176568/file/RR-6316.pdf BibTex
ref_biblio
Eric Cancès, Amélie Deleurence, Mathieu Lewin. Non-perturbative embedding of local defects in crystalline materials. Journal of Physics: Condensed Matter, IOP Publishing, 2008, 20, pp.294213. ⟨hal-00152223v2⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00152223/file/Cances-Deleurence-Lewin_defects2.pdf BibTex
ref_biblio
Antoine Gloria. An analytical framework for numerical homogenization – Part II: windowing and oversampling. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2008, 7 (1), pp.274-293. ⟨10.1137/070683143⟩. ⟨inria-00132118v4⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00132118/file/068314.pdf BibTex
ref_biblio
Frédéric Legoll, Tony Lelièvre, Gabriel Stoltz. Some remarks on sampling methods in molecular dynamics. ESAIM: Proceedings and Surveys, EDP Sciences, 2008, 22, pp.217-233. ⟨10.1051/proc:072226 ⟩. ⟨hal-01986848⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cancès, Amélie Deleurence, Mathieu Lewin. A new approach to the modelling of local defects in crystals: the reduced Hartree-Fock case. Communications in Mathematical Physics, Springer Verlag, 2008, 281 (1), pp.129-177. ⟨10.1007/s00220-008-0481-x⟩. ⟨hal-00132291v3⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00132291/file/article_defauts_final.pdf BibTex

Conference papers

ref_biblio
David Benoit, Jean-Roch Vaillé, Pierre Garcia, Laurent Dusseau, Jérôme Lautissier, et al.. Fibered Monitoring Device for Pulsed Dose-Rate Facilities Based on Radioluminescence of SrS:Ce, Sm Phosphor. IEEE-NSREC2008, 2008, Tucson, United States. ⟨hal-02027222⟩
Accès au bibtex
BibTex

Reports

ref_biblio
Miguel Angel Fernández, Jean-Frédéric Gerbeau, Antoine Gloria, Marina Vidrascu. A partitioned Newton method for the interaction of a fluid and a 3D shell structure. [Research Report] RR-6623, INRIA. 2008, pp.30. ⟨inria-00315765⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00315765/file/RR-6623.pdf BibTex
ref_biblio
Sébastien Boyaval, Claude Le Bris, Yvon Maday, Ngoc Cuong Nguyen, Anthony Patera. A Reduced Basis Approach for Variational Problems with Stochastic Parameters: Application to Heat Conduction with Variable Robin Coefficient. [Research Report] RR-6617, INRIA. 2008, pp.50. ⟨inria-00311463⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00311463/file/SPDE_final.pdf BibTex
ref_biblio
Sébastien Boyaval, Tony Lelièvre, Claude Mangoubi. Free-energy-dissipative schemes for the Oldroyd-B model. [Research Report] RR-6413, INRIA. 2008, pp.53. ⟨inria-00204620v2⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00204620/file/RR-6413.pdf BibTex

Theses

ref_biblio
Guy Bencteux. Amélioration d’une méthode de décomposition de domaine pour le calcul de structures électroniques. Mathématiques [math]. Ecole des Ponts ParisTech, 2008. Français. ⟨tel-00391801v2⟩
Accès au texte intégral et bibtex
https://pastel.archives-ouvertes.fr/tel-00391801/file/these_Bencteux.pdf BibTex

Preprints, Working Papers, …

ref_biblio
Claude Le Bris, Tony Lelièvre, Yvon Maday. Results and questions on a nonlinear approximation approach for solving high-dimensional partial differential equations. 2008. ⟨inria-00336911⟩
Accès au bibtex
https://arxiv.org/pdf/0811.0474 BibTex
ref_biblio
Arnaud Anantharaman, Eric Cancès. On Kohn-Sham models with LDA and GGA exchange-correlation functionals. 2008. ⟨inria-00325660⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00325660/file/lda_gga.pdf BibTex

2007

Journal articles

ref_biblio
Julien Salomon, Yvon Maday, Gabriel Turinici. Parareal in time control for quantum systems. SIAM Journal on Numerical Analysis, Society for Industrial and Applied Mathematics, 2007, 45 (6), pp.2468-2482. ⟨10.1137/050647086⟩. ⟨hal-00365012⟩
Accès au bibtex
BibTex
ref_biblio
Xavier Blanc, Claude Le Bris, Pierre-Louis Lions. The energy of some microscopic stochastic lattices. Archive for Rational Mechanics and Analysis, Springer Verlag, 2007, 184 (2), pp.303-339. ⟨10.1007/s00205-006-0028-2⟩. ⟨hal-00667350⟩
Accès au bibtex
BibTex
ref_biblio
Xavier Blanc, Claude Le Bris, Pierre-Louis Lions. Atomistic to continuum limits for computational materials science. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2007, 41 (2), pp.391-426. ⟨10.1051/m2an:2007018⟩. ⟨hal-00667335⟩
Accès au bibtex
BibTex
ref_biblio
Maxime Hauray, Claude Le Bris, Pierre-Louis Lions. Two remarks on generalized flows for ordinary differential equations. Comptes Rendus Mathématique, Elsevier Masson, 2007, 344 (12), pp.759-764. ⟨10.1016/j.crma.2007.05.010⟩. ⟨hal-00667328⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cancès, Frédéric Legoll, Gabriel Stoltz. Theoretical and numerical comparison of some sampling methods for molecular dynamics. ESAIM: Mathematical Modelling and Numerical Analysis, EDP Sciences, 2007, 41 (2), pp.351-389. ⟨10.1051/m2an:2007014⟩. ⟨hal-01986853⟩
Accès au bibtex
BibTex
ref_biblio
Xavier Blanc, Claude Le Bris, Frédéric Legoll. Analysis of a prototypical multiscale method coupling atomistic and continuum mechanics: the convex case. Acta Mathematicae Applicatae Sinica, Springer Verlag, 2007, 23 (2), pp.209-216. ⟨10.1007/s10255-007-0364-5⟩. ⟨hal-01986858⟩
Accès au bibtex
BibTex
ref_biblio
Claude Le Bris, Frédéric Legoll. Dérivation de schémas numériques symplectiques pour des systèmes hamiltoniens hautement oscillants (derivation of symplectic numerical schemes for highly oscillatory hamiltonian systems). Comptes Rendus Mathématique, Elsevier Masson, 2007, 344 (4), pp.277-282. ⟨10.1016/j.crma.2006.12.012⟩. ⟨hal-01986851⟩
Accès au bibtex
BibTex
ref_biblio
Claude Le Bris, Mazyar Mirrahimi, Herschel Rabitz, Gabriel Turinici. Hamiltonian identification for quantum systems : well posedness and numerical approaches. ESAIM: Control, Optimisation and Calculus of Variations, EDP Sciences, 2007, 13 (2), pp.378-395. ⟨10.1051/cocv:2007013⟩. ⟨hal-00798211⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00798211/file/turinici_COCV.pdf BibTex
ref_biblio
Mohamed Belhadj, Eric Cancès, Jean-Frédéric Gerbeau, Andro Mikelić. Homogenization approach to filtration through a fibrous medium. Networks and Heterogeneous Media, AIMS-American Institute of Mathematical Sciences, 2007, 2 (3), pp.529-550. ⟨10.3934/nhm.2007.2.529⟩. ⟨hal-00701778⟩
Accès au bibtex
BibTex

Conference papers

ref_biblio
Roberto Alicandro, Marco Cicalese, Antoine Gloria. Convergence analysis of the Böl-Reese discrete model for rubber. Continuum Models and Discrete Systems CMDS 11, Jul 2007, Paris, France. ⟨inria-00166846v4⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00166846/file/RR-6270.pdf BibTex
ref_biblio
Xavier Blanc, Claude Le Bris, Frédéric Legoll. Multiscale methods coupling atomistic and continuum mechanics: analysis of a simple case. 8e Colloque national en calcul des structures, CSMA, May 2007, Giens, France. ⟨hal-01508995⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-01508995/file/Y2VAB9YL.pdf BibTex

Reports

ref_biblio
William Hager, Guy Bencteux, Eric Cancès, Claude Le Bris. Analysis of a quadratic programming decomposition algorithm. [Research Report] RR-6288, INRIA. 2007. ⟨inria-00169080v5⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00169080/file/paper_INRIA.pdf BibTex
ref_biblio
Claude Le Bris, Tony Lelièvre. Multiscale modelling of complex fluids: A mathematical initiation.. [Research Report] RR-6275, INRIA. 2007. ⟨inria-00165171v3⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00165171/file/RR-6275.pdf BibTex
ref_biblio
Sébastien Boyaval. Reduced-Basis approach for homogenization beyond the periodic setting. [Research Report] RR-6130, INRIA. 2007, pp.29. ⟨inria-00132763v3⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00132763/file/RR-6130.pdf BibTex

Preprints, Working Papers, …

ref_biblio
Tony Lelièvre, Mathias Rousset, Gabriel Stoltz. Computation of free energy profiles with parallel adaptive dynamics. 2007. ⟨hal-00136425⟩
Accès au bibtex
https://arxiv.org/pdf/cond-mat/0611276 BibTex

2006

Journal articles

ref_biblio
Anthony Scemama, Tony Lelièvre, Gabriel Stoltz, Eric Cancès, Michel Caffarel. An efficient sampling algorithm for variational Monte Carlo.. Journal of Chemical Physics, American Institute of Physics, 2006, 125 (11), pp.114105. ⟨10.1063/1.2354490⟩. ⟨hal-00875620⟩
Accès au bibtex
BibTex
ref_biblio
Julien Salomon, Gabriel Turinici. On the relationship between the local tracking procedures and monotonic schemes in quantum optimal control. Journal of Chemical Physics, American Institute of Physics, 2006, 124 (7), pp.074102. ⟨10.1063/1.2170085⟩. ⟨hal-00365015⟩
Accès au bibtex
BibTex
ref_biblio
Antoine Gloria. A direct approach to numerical homogenization in finite elasticity. Networks and Heterogeneous Media, AIMS-American Institute of Mathematical Sciences, 2006, 1 (1), pp.109-141. ⟨inria-00070383⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00070383/file/RR-5625.pdf BibTex
ref_biblio
Isabelle Catto, Eric Cancès, Yousra Gati, Claude Le Bris. Well-posedness of a multiscale model for concentrated suspensions. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2006, 4 (4), pp.1041-1058. ⟨hal-00278229⟩
Accès au bibtex
BibTex
ref_biblio
Antoine Gloria. An analytical framework for the numerical homogenization of monotone elliptic operators and quasiconvex energies. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2006, 5 (3), pp.996-1043. ⟨10.1137/060649112⟩. ⟨inria-00070230⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00070230/file/RR-5791.pdf BibTex
ref_biblio
Eric Cancès, Hervé Galicher, Mathieu Lewin. Computing electronic structures: a new multiconfiguration approach for excited states. Journal of Computational Physics, Elsevier, 2006, 212, pp.73–98. ⟨hal-00093538⟩
Accès au bibtex
BibTex
ref_biblio
Xiao-Jiang Feng, Claude Le Bris, Herschel Rabitz, Gabriel Turinici. A closed-loop identification protocol (clip) for nonlinear dynamical systems. Journal of Physical Chemistry A, American Chemical Society, 2006, 110, pp.7755-7762. ⟨10.1021/jp056189o⟩. ⟨hal-00536549⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cances, Gabriel Stoltz, Mathieu Lewin. The Electronic Ground State Energy Problem: a New Reduced Density Matrix Approach. Journal of Chemical Physics, American Institute of Physics, 2006, 125, pp.064101. ⟨hal-00132412⟩
Accès au bibtex
https://arxiv.org/pdf/quant-ph/0602042 BibTex

Other publications

ref_biblio
E. Cancès, Mathieu Lewin, Gabriel Stoltz. The Electronic Ground State Energy Problem: a New Reduced Density Matrix Approach. 2006. ⟨hal-00097076⟩
Accès au bibtex
BibTex

2005

Journal articles

ref_biblio
Julien Salomon, Gabriel Turinici, Claude M. Dion. Optimal molecular alignment and orientation through rotational ladder climbing. Journal of Chemical Physics, American Institute of Physics, 2005, 123 (14), pp.144310. ⟨10.1063/1.2049270⟩. ⟨hal-00365014⟩
Accès au bibtex
BibTex
ref_biblio
Mazyar Mirrahimi, Gabriel Turinici, Pierre Rouchon. Reference trajectory tracking for locally designed coherent quantum controls.. Journal of Physical Chemistry A, American Chemical Society, 2005, 109 (11), pp.2631-7. ⟨10.1021/jp0472461⟩. ⟨hal-00536582⟩
Accès au bibtex
BibTex
ref_biblio
Eric Cancès, Isabelle Catto, Yousra Gati, Claude Le Bris. Well-posedness of a multiscale model for concentrated suspensions. Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, Society for Industrial and Applied Mathematics, 2005, 4 issue 4, pp.1041-1058. ⟨hal-00122454⟩
Accès au bibtex
https://arxiv.org/pdf/math.AP/0503425 BibTex
ref_biblio
Eric Cancès, François Castella, Philippe Chartier, Erwan Faou, Frédéric Legoll, et al.. Long-time averaging for integrable Hamiltonian dynamics. Numerische Mathematik, Springer Verlag, 2005, 100 (2), pp.211–232. ⟨10.1007/s00211-005-0599-0⟩. ⟨hal-00798337⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00798337/file/numer_math_arc.pdf BibTex

Conference papers

ref_biblio
Gabriel Turinici. Equivalence between local tracking procedures and monotonic algorithms in quantum control. CDC-ECC ’05 – Proceedings of the 44th IEEE Conference on Decision and Control, and the European Control, Dec 2005, Seville, Spain. pp.8203-8208, ⟨10.1109/CDC.2005.1583490⟩. ⟨hal-00798230⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00798230/file/equivalence_turinici.pdf BibTex
ref_biblio
Julien Salomon, Gabriel Turinici. Control of Molecular orientation and alignement by monotonic schemes. Proceedings of the 24th MIC IASTED Conference, Innsbruck, Austria, Feb. 16–18, Feb 2005, Innsbruck, Austria. pp.64–68. ⟨hal-00798246⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00798246/file/turinici_salomon_MIC2005.pdf BibTex

Reports

ref_biblio
Gabriel Turinici. Equivalence entre les procedures de «local tracking» et les algorithmes monotoniques en contrôle quantique. [Rapport de recherche] RR-5564, INRIA. 2005, pp.16. ⟨inria-00070442⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00070442/file/RR-5564.pdf BibTex

2004

Journal articles

ref_biblio
Eric Cancès, François Castella, Philippe Chartier, Erwan Faou, Claude Le Bris, et al.. High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations.. Journal of Chemical Physics, American Institute of Physics, 2004, 121 (21), pp.10346-55. ⟨10.1063/1.1794611⟩. ⟨hal-00536562⟩
Accès au bibtex
BibTex
ref_biblio
Gabriel Turinici, Claude Le Bris, Herschel Rabitz. Efficient algorithms for the laboratory discovery of optimal quantum controls.. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, American Physical Society, 2004, 70 (1), pp.016704. ⟨hal-00536565⟩
Accès au bibtex
BibTex
ref_biblio
Frédéric Legoll. Numerical homogenization of nonlinear viscoplastic two-dimensional polycrystals. Computational and Applied Mathematics, Springer Verlag, 2004, 23 (2-3), pp.309-325. ⟨10.1590/S1807-03022004000200011⟩. ⟨hal-01986864⟩
Accès au bibtex
BibTex
ref_biblio
Jean-Frédéric Gerbeau, Tony Lelièvre, Claude Le Bris. Modeling and simulation of the industrial production of aluminium : the nonlinear approach. Computers and Fluids, Elsevier, 2004, 33 (5-6), pp.801-814. ⟨10.1016/j.compfluid.2003.06.013⟩. ⟨hal-00695952⟩
Accès au bibtex
BibTex

Habilitation à diriger des recherches

ref_biblio
Gabriel Turinici. Contrôle et simulations numériques en chimie quantique. Mathématiques [math]. Université Pierre et Marie Curie – Paris VI, 2004. ⟨tel-00377193⟩
Accès au texte intégral et bibtex
https://tel.archives-ouvertes.fr/tel-00377193/file/hdr.pdf BibTex

Reports

ref_biblio
Eric Cancès, Hervé Galicher, Mathieu Lewin. Computing Electronic Structures: a New Multiconfiguration Approach for Excited States. [Research Report] RR-5289, INRIA. 2004, pp.36. ⟨inria-00070711⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00070711/file/RR-5289.pdf BibTex
ref_biblio
Mohamed Belhadj, Eric Cancès, Jean-Frédéric Gerbeau, Andro Mikelic. Homogenization approach to filtration through a fibrous medium. [Research Report] RR-5277, INRIA. 2004. ⟨inria-00071254⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00071254/file/RR-5277.pdf BibTex
ref_biblio
Aurélien Alfonsi, Eric Cancès, Gabriel Turinici, Barbara Di Ventura, Wilhelm Huisinga. Exact simulation of hybrid stochastic and deterministic models for biochemical systems. [Research Report] RR-5435, INRIA. 2004, pp.20. ⟨inria-00070572⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00070572/file/RR-5435.pdf BibTex

2003

Journal articles

ref_biblio
Jean-Frédéric Gerbeau, Claude Le Bris, Tony Lelièvre. Simulations of MHD flows with moving interfaces. Journal of Computational Physics, Elsevier, 2003, 184 (1), pp.163-191. ⟨10.1016/S0021-9991(02)00025-6⟩. ⟨hal-00694626⟩
Accès au bibtex
BibTex
ref_biblio
Tuen Ng, Gabriel Turinici, Antoine Danchin. A double epidemic model for the SARS propagation. BMC Infectious Diseases, BioMed Central, 2003, 3 (1), pp.19. ⟨10.1186/1471-2334-3-19⟩. ⟨hal-00784487⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/hal-00784487/file/1471-2334-3-19.pdf BibTex
ref_biblio
Eric Cancès, K.N. Kudin, Gustavo Scuseria, Gabriel Turinici. Quadratically convergent algorithm for fractional occupation numbers. Journal of Chemical Physics, American Institute of Physics, 2003, 118, pp.5364. ⟨10.1063/1.1555125⟩. ⟨hal-00798419⟩
Accès au bibtex
BibTex

Reports

ref_biblio
Anne Auger, Claude Le Bris, Marc Schoenauer. Rigorous analysis of some simple adaptive ES. [Research Report] RR-4914, INRIA. 2003. ⟨inria-00071665⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00071665/file/RR-4914.pdf BibTex
ref_biblio
Eric Cancès, François Castella, Philippe Chartier, Erwan Faou, Claude Le Bris, et al.. High-order averaging schemes with error bounds for thermodynamical properties calculations by MD simulations. [Research Report] RR-4875, INRIA. 2003. ⟨inria-00071708⟩
Accès au texte intégral et bibtex
https://hal.inria.fr/inria-00071708/file/RR-4875.pdf BibTex

2002

Journal articles

ref_biblio
Eric Cancès, Claude Le Bris, Yvon Maday, Gabriel Turinici. Towards Reduced Basis Approaches in ab initio Electronic Structure Computations. Journal of Scientific Computing, Springer Verlag, 2002, 17 (1-4), pp.461-469. ⟨10.1023/A:1015150025426⟩. ⟨hal-00798475⟩
Accès au bibtex
BibTex
ref_biblio
Yvon Maday, Anthony Patera, Gabriel Turinici. Global a priori convergence theory for reduced-basis approximations of single-parameter symmetric coercive elliptic partial differential equations. Comptes rendus de l’Académie des sciences. Série I, Mathématique, Elsevier, 2002, 335 (3), pp.289-294. ⟨10.1016/S1631-073X(02)02466-4⟩. ⟨hal-00798389⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00798389/file/CRAS_reduced_basis_turinici_patera_maday.pdf BibTex
ref_biblio
Yvon Maday, Gabriel Turinici. A parareal in time procedure for the control of partial differential equations. Comptes Rendus Mathématique, Elsevier Masson, 2002, 335 (4), pp.387 – 392. ⟨10.1016/S1631-073X(02)02467-6⟩. ⟨hal-00798362⟩
Accès au texte intégral et bibtex
https://hal.archives-ouvertes.fr/hal-00798362/file/note_cras_parareel_controle_turinici_maday.pdf BibTex
ref_biblio
Frédéric Legoll, Régis Monneau. Designing reversible measure invariant algorithms with applications to molecular dynamics. Journal of Chemical Physics, American Institute of Physics, 2002, 117 (23), pp.10452-10464. ⟨10.1063/1.1519842⟩. ⟨hal-01986870⟩
Accès au bibtex
BibTex

Conference papers

ref_biblio
Claude Le Bris, Yvon Maday, Gabriel Turinici. Towards efficient numerical approaches for quantum control. Quantum Control: mathematical and numerical challenges, Oct 2002, Montreal, Canada. pp.127-142. ⟨hal-00723669⟩
Accès au bibtex
BibTex

2000

Journal articles

ref_biblio
Jean-Frédéric Gerbeau, Claude Le Bris. A basic remark on some Navier-Stokes equations with body forces. Applied Mathematics Letters, Elsevier, 2000, 13 (3), pp.107-112. ⟨10.1016/S0893-9659(99)00194-9⟩. ⟨hal-00691698⟩
Accès au bibtex
BibTex
ref_biblio
Jean-Frédéric Gerbeau, Claude Le Bris. Comparison between two numerical methods for a magnetostatic problem. Calcolo, Springer Verlag, 2000, 37, pp.1-20. ⟨10.1007/s100920050001⟩. ⟨hal-00691699⟩
Accès au bibtex
BibTex

Theses

ref_biblio
Gabriel Turinici. Analyse des méthodes numériques de simulation et contrôle en chimie quantique. Mathématiques [math]. Université Pierre et Marie Curie – Paris VI, 2000. Français. ⟨tel-00377187⟩
Accès au texte intégral et bibtex
https://tel.archives-ouvertes.fr/tel-00377187/file/these_gabriel_turinici.pdf BibTex

1999

Journal articles

ref_biblio
Jean-Frédéric Gerbeau, Claude Le Bris. A coupled system arising in Magnetohydrodynamics. Applied Mathematics Letters, Elsevier, 1999, 12 (3), pp.53-57. ⟨10.1016/S0893-9659(98)00172-4⟩. ⟨hal-00691693⟩
Accès au bibtex
BibTex
ref_biblio
Jean-Frédéric Gerbeau, Claude Le Bris. On the long time behaviour of the solution to the two-fluids incompressible Navier-Stokes equations. Differential and integral equations, Khayyam Publishing, 1999, 12 (5), pp.691-740. ⟨hal-00701804⟩
Accès au bibtex
BibTex

1997

Journal articles

ref_biblio
Jean-Frédéric Gerbeau, Claude Le Bris. Existence of solution for a density-dependent magnetohydrodynamic equation. Advances in Differential Equations, Khayyam Publishing, 1997, 2 (3), pp.427-452. ⟨hal-00690237⟩
Accès au bibtex
BibTex
ref_biblio
Jean-Frédéric Gerbeau, Claude Le Bris, Michel Bercovier. Spurious velocities in the steady flow of an incompressible fluid subjected to external forces. International Journal for Numerical Methods in Fluids, Wiley, 1997, 25 (6), pp.679-695. ⟨hal-00690238⟩
Accès au bibtex
BibTex

Comments are closed.