Bibliography

Major publications by the team in recent years

• 1E. Cancès, M. Defranceschi, W. Kutzelnigg, C. Le Bris, Y. Maday.
  
  Computational Quantum Chemistry: A Primer, 2003, Le Bris, Claude (ed.), Special Volume: Computational Chemistry. Amsterdam: North-Holland. Handb. Numer. Anal. 10, 3-270 (2003).
• 2E. Cancès, C. Le Bris, Y. Maday.
  
  Mathematical Methods in Quantum Chemistry. An Introduction. (Méthodes mathématiques en chimie quantique. Une introduction.), Mathématiques et Applications (Berlin) 53. Berlin: Springer. xvi, 409 p. , 2006.
• 3I. Catto, C. Le Bris, P.-L. Lions.
  
  The Mathematical Theory of Thermodynamic Limits: Thomas-Fermi Type Models, Oxford Mathematical Monographs. Oxford: Clarendon Press. xiii, 277 p., 1998.
• 4J.-F. Gerbeau, C. Le Bris, T. Lelièvre.
  
  Mathematical Methods for the Magnetohydrodynamics of Liquid Metals, Numerical Mathematics and Scientific Computation. Oxford: Oxford University Press., 324 p., 2006.
• 5C. Le Bris.
  
  Multi-scale Analysis. Modeling and Simulation. (Systèmes multi-échelles. Modélisation et simulation.), Mathématiques et Applications (Berlin) 47. Berlin: Springer. xi, 212 p., 2005.
• 6C. Le Bris, P.-L. Lions.
  
  Parabolic Equations with Irregular Data and Related Issues: Applications to Stochastic Differential Equations, De Gruyter Series in Applied and Numerical Mathematics, 2019, vol. 4.
• 7T. Lelièvre, M. Rousset, G. Stoltz.
  
  Free Energy Computations: A Mathematical Perspective, Imperial College Press, 458 p., 2010.

Publications of the year

Doctoral Dissertations and Habilitation Theses

• 8G. Ferré.
  
  Large Deviations Theory in Statistical Physics: Some Theoretical and Numerical Aspects, Université Marne La Vallée, November 2019.
  
  https://hal.archives-ouvertes.fr/tel-02441535
• 9P.-L. Rothé.
  
  Numerical methods for the study of fluctuations in multi-scale materials and related problems, Université Paris-Est Marne la Vallée, December 2019.
  
  https://tel.archives-ouvertes.fr/tel-02447725

Articles in International Peer-Reviewed Journals

• 10A. Benaceur, A. Ern, V. Ehrlacher.
  
  A reduced basis method for parametrized variational inequalities applied to contact mechanics, in: International Journal for Numerical Methods in Engineering, October 2019. [ DOI : 10.1002/nme.6261 ]
  
  https://hal.archives-ouvertes.fr/hal-02081485
• 11R. Benda, E. Cancès, B. Lebental.
  
  Effective resistance of random percolating networks of stick nanowires: Functional dependence on elementary physical parameters, in: Journal of Applied Physics, July 2019, vol. 126, n^o 4, 044306 p. [ DOI : 10.1063/1.5108575 ]
  
  https://hal.archives-ouvertes.fr/hal-02281362
• 12X. Blanc, M. Josien, C. Le Bris.
  
  Local precised approximation in multiscale problems with local defects, in: Comptes Rendus Mathématique, 2019, https://arxiv.org/abs/1901.09669. [ DOI : 10.1016/j.crma.2018.12.005 ]
  
  https://hal.archives-ouvertes.fr/hal-01893991
• 13X. Blanc, M. Josien, C. Le Bris.
  
  Precised approximations in elliptic homogenization beyond the periodic setting, in: Asymptotic Analysis, January 2020, vol. 116, n^o 2, pp. 93-137, https://arxiv.org/abs/1812.07220. [ DOI : 10.3233/ASY-191537 ]
  
  https://hal.archives-ouvertes.fr/hal-01958207
• 14T. Boiveau, V. Ehrlacher, A. Ern, A. Nouy.
  
  Low-rank approximation of linear parabolic equations by space-time tensor Galerkin methods, in: ESAIM: Mathematical Modelling and Numerical Analysis, May 2019, vol. 53, n^o 2, pp. 635-658, https://arxiv.org/abs/1712.07256. [ DOI : 10.1051/m2an/2018073 ]
  
  https://hal.archives-ouvertes.fr/hal-01668316
• 15C.-E. Bréhier, T. Lelièvre.
  
  On a new class of score functions to estimate tail probabilities of some stochastic processes with Adaptive Multilevel Splitting, in: Chaos, 2019, vol. 29, 033126 p. [ DOI : 10.1063/1.5081440 ]
  
  https://hal.archives-ouvertes.fr/hal-01923385
• 16E. Cancès, L.-L. Cao, G. Stoltz.
  
  A reduced Hartree–Fock model of slice-like defects in the Fermi sea, in: Nonlinearity, January 2020, vol. 33, n^o 1, pp. 156-195, https://arxiv.org/abs/1807.06960. [ DOI : 10.1088/1361-6544/ab4c7d/meta ]
  
  https://hal.archives-ouvertes.fr/hal-01891488
• 17E. Cancès, V. Ehrlacher, F. Legoll, B. Stamm, S. Xiang.
  
  An embedded corrector problem for homogenization. Part II: Algorithms and discretization, in: Journal of Computational Physics, 2020, vol. 407, 109254 p, https://arxiv.org/abs/1810.09885. [ DOI : 10.1016/j.jcp.2020.109254 ]
  
  https://hal.archives-ouvertes.fr/hal-01903486
• 18P. Cardaliaguet, C. Le Bris, P. E. Souganidis.
  
  Perturbation problems in homogenization of hamilton-jacobi equations, in: Journal de Mathématiques Pures et Appliquées, 2019, vol. 117, pp. 221-262, https://arxiv.org/abs/1701.05440, forthcoming. [ DOI : 10.1016/j.matpur.2018.03.005 ]
  
  https://hal.archives-ouvertes.fr/hal-01435744
• 19D. Chafaï, G. Ferré.
  
  Simulating Coulomb gases and log-gases with hybrid Monte Carlo algorithms, in: Journal of Statistical Physics, February 2019, vol. 174, n^o 3, pp. 692–714, https://arxiv.org/abs/1806.05985. [ DOI : 10.1007/s10955-018-2195-6 ]
  
  https://hal.archives-ouvertes.fr/hal-01818268
• 20H. D. Cornean, D. Gontier, A. Levitt, D. Monaco.
  
  Localised Wannier functions in metallic systems, in: Annales Henri Poincaré, April 2019, vol. 20, n^o 4, pp. 1367–1391, https://arxiv.org/abs/1712.07954 - 18 pages, 4 figures. [ DOI : 10.1007/s00023-019-00767-6 ]
  
  https://hal.archives-ouvertes.fr/hal-01671848
• 21G. Di Gesù, T. Lelièvre, D. Le Peutrec, B. Nectoux.
  
  Sharp asymptotics of the first exit point density, in: Annals of PDE, June 2019, vol. 5, n^o 1, 5 p, https://arxiv.org/abs/1706.08728 - 146 pages. [ DOI : 10.1007/s40818-019-0059-2 ]
  
  https://hal.archives-ouvertes.fr/hal-01548737
• 22G. Di Gesù, T. Lelièvre, D. Le Peutrec, B. Nectoux.
  
  The exit from a metastable state: Concentration of the exit point distribution on the low energy saddle points, part 1, in: Journal de Mathématiques Pures et Appliquées, June 2019. [ DOI : 10.1016/j.matpur.2019.06.003 ]
  
  https://hal.archives-ouvertes.fr/hal-02383232
• 23G. Ferré, G. Stoltz.
  
  Error estimates on ergodic properties of discretized Feynman-Kac semigroups, in: Numerische Mathematik, July 2019, vol. 143, n^o 2, pp. 261–313, https://arxiv.org/abs/1712.04013. [ DOI : 10.1007/s00211-019-01059-1 ]
  
  https://hal.archives-ouvertes.fr/hal-01690532
• 24D. Gontier, A. Levitt, S. Siraj-Dine.
  
  Numerical construction of Wannier functions through homotopy, in: Journal of Mathematical Physics, March 2019, https://arxiv.org/abs/1812.06746. [ DOI : 10.1063/1.5085753 ]
  
  https://hal.archives-ouvertes.fr/hal-01955842
• 25T. J. Hudson, F. Legoll, T. Lelièvre.
  
  Stochastic homogenization of a scalar viscoelastic model exhibiting stress-strain hysteresis, in: ESAIM: Mathematical Modelling and Numerical Analysis, 2019, https://arxiv.org/abs/1802.05549 - 35 pages, 4 figures, forthcoming. [ DOI : 10.1051/m2an/2019081 ]
  
  https://hal.archives-ouvertes.fr/hal-01710772
• 26F. Hédin, T. Lelièvre.
  
  gen.parRep: a first implementation of the Generalized Parallel Replica dynamics for the long time simulation of metastable biochemical systems, in: Computer Physics Communications, 2019, vol. 239, pp. 311-324, https://arxiv.org/abs/1807.02431, forthcoming. [ DOI : 10.1016/j.cpc.2019.01.005 ]
  
  https://hal.archives-ouvertes.fr/hal-01832823
• 27A. Iacobucci, S. Olla, G. Stoltz.
  
  Convergence rates for nonequilibrium Langevin dynamics, in: Annales mathématiques du Québec, April 2019, vol. 43, n^o 1, pp. 73-98, https://arxiv.org/abs/1702.03685. [ DOI : 10.1007/s40316-017-0091-0 ]
  
  https://hal.archives-ouvertes.fr/hal-01467131
• 28M. Josien.
  
  Decomposition and pointwise estimates of periodic Green functions of some elliptic equations with periodic oscillatory coefficients, in: Asymptotic Analysis, 2019, vol. 112, n^o 3-4, pp. 227–246.
  
  https://hal.archives-ouvertes.fr/hal-01848268
• 29C. Le Bris, F. Legoll, F. Madiot.
  
  Multiscale Finite Element methods for advection-dominated problems in perforated domains, in: Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, 2019, vol. 17, n^o 2, pp. 773-825, https://arxiv.org/abs/1710.09331. [ DOI : 10.1137/17M1152048 ]
  
  https://hal.archives-ouvertes.fr/hal-01624049
• 30F. Legoll, T. Lelièvre, U. Sharma.
  
  Effective dynamics for non-reversible stochastic differential equations: a quantitative study, in: Nonlinearity, 2019, vol. 32, n^o 12, pp. 4779-4816, https://arxiv.org/abs/1809.10498. [ DOI : 10.1088/1361-6544/ab34bf ]
  
  https://hal.archives-ouvertes.fr/hal-01883330
• 31T. Lelièvre, M. Rousset, G. Stoltz.
  
  Hybrid Monte Carlo methods for sampling probability measures on submanifolds, in: Numerische Mathematik, June 2019, vol. 143, n^o 2, pp. 379–421, https://arxiv.org/abs/1807.02356. [ DOI : 10.1007/s00211-019-01056-4 ]
  
  https://hal.archives-ouvertes.fr/hal-01832820
• 32T. Lelièvre, G. Samaey, P. Zieliński.
  
  Analysis of a micro-macro acceleration method with minimum relative entropy moment matching, in: Stochastic Processes and their Applications, October 2019, https://arxiv.org/abs/1801.01740 - 40 pages. [ DOI : 10.1016/j.spa.2019.10.008 ]
  
  https://hal.archives-ouvertes.fr/hal-01680761
• 33T. Lelièvre, W. Zhang.
  
  Pathwise Estimates for Effective Dynamics: The Case of Nonlinear Vectorial Reaction Coordinates, in: Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, July 2019, vol. 17, n^o 3, pp. 1019-1051, https://arxiv.org/abs/1805.01928. [ DOI : 10.1137/18M1186034 ]
  
  https://hal.archives-ouvertes.fr/hal-02383239
• 34L. Lopes, T. Lelièvre.
  
  Analysis of the adaptive multilevel splitting method on the isomerization of alanine dipeptide, in: Journal of Computational Chemistry, April 2019, vol. 40, n^o 11, pp. 1198-1208, https://arxiv.org/abs/1707.00950. [ DOI : 10.1002/jcc.25778 ]
  
  https://hal.archives-ouvertes.fr/hal-02383173
• 35J. Roussel, G. Stoltz.
  
  A perturbative approach to control variates in molecular dynamics, in: Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, March 2019, vol. 17, n^o 1, pp. 552–591, https://arxiv.org/abs/1712.08022. [ DOI : 10.1137/18M1171047 ]
  
  https://hal.archives-ouvertes.fr/hal-01709265
• 36B. Stamm, L. Lagardère, G. Scalmani, P. Gatto, E. Cancès, J.-P. Piquemal, Y. Maday, B. Mennucci, F. Lipparini.
  
  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, in: International Journal of Quantum Chemistry, January 2019, vol. 119, e25669. [ DOI : 10.1002/qua.25669 ]
  
  https://hal.archives-ouvertes.fr/hal-01793770

Conferences without Proceedings

• 37S. Brisard, V. Ehrlacher.
  
  Méthodes MsFEM pour les plaques hétérogènes, in: CFM 2019 - 24ème Congrès Français de Mécanique, Brest, France, August 2019.
  
  https://hal-enpc.archives-ouvertes.fr/hal-02274963

Scientific Books (or Scientific Book chapters)

• 38G. Giacomin, S. Olla, E. Saada, H. Spohn, G. Stoltz.
  
  Stochastic Dynamics Out of Equilibrium : Institut Henri Poincaré, Paris, France, 2017, Springer, July 2019, vol. 282. [ DOI : 10.1007/978-3-030-15096-9 ]
  
  https://hal.archives-ouvertes.fr/hal-02378069
• 39T. Lelièvre, D. Le Peutrec, B. Nectoux.
  
  Exit event from a metastable state and Eyring-Kramers law for the overdamped Langevin dynamics, in: Stochastic Dynamics Out of Equilibrium. IHPStochDyn 2017, Springer Proceedings in Mathematics & Statistics, July 2019, vol. 282, pp. 331-363, https://arxiv.org/abs/1811.06786. [ DOI : 10.1007/978-3-030-15096-9_9 ]
  
  https://hal.archives-ouvertes.fr/hal-01696187

Other Publications

• 40A. Alfonsi, R. Coyaud, V. Ehrlacher, D. Lombardi.
  
  Approximation of Optimal Transport problems with marginal moments constraints, May 2019, https://arxiv.org/abs/1905.05663 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02128374
• 41J. Berendsen, M. Burger, V. Ehrlacher, J.-F. Pietschmann.
  
  Uniqueness of strong solutions and weak-strong stability in a system of cross-diffusion equations, January 2019, https://arxiv.org/abs/1812.10711 - working paper or preprint. [ DOI : 10.1007/s00028-019-00534-4 ]
  
  https://hal.archives-ouvertes.fr/hal-01967899
• 42S. Boyaval.
  
  Viscoelastic flows with conservation laws, August 2019, https://arxiv.org/abs/1908.03344 - working paper or preprint.
  
  https://hal.inria.fr/hal-02262298
• 43S. Boyaval, S. Martel, J. Reygner.
  
  Finite-Volume approximation of the invariant measure of a viscous stochastic scalar conservation law, September 2019, https://arxiv.org/abs/1909.08899 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02291253
• 44E. Cancès, G. Dusson, Y. Maday, B. Stamm, M. Vohralík.
  
  Guaranteed a posteriori bounds for eigenvalues and eigenvectors: multiplicities and clusters, May 2019, working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02127954
• 45E. Cancès, G. Dusson, Y. Maday, B. Stamm, M. Vohralík.
  
  Post-processing of the planewave approximation of Schrödinger equations. Part I: linear operators, January 2020, working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01908039
• 46D. Chafaï, G. Ferré, G. Stoltz.
  
  Coulomb gases under constraint: some theoretical and numerical results, July 2019, https://arxiv.org/abs/1907.05803 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02184896
• 47L. Chamoin, F. Legoll.
  
  Goal-oriented error estimation and adaptivity in MsFEM computations, August 2019, https://arxiv.org/abs/1908.00367 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02262423
• 48G. Di Gesù, T. Lelièvre, D. Le Peutrec, B. Nectoux.
  
  The exit from a metastable state: concentration of the exit point distribution on the low energy saddle points, February 2019, https://arxiv.org/abs/1902.03270 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02015493
• 49V. Ehrlacher, L. Grigori, D. Lombardi, H. Song.
  
  Adaptive hierarchical subtensor partitioning for tensor compression, September 2019, working paper or preprint.
  
  https://hal.inria.fr/hal-02284456
• 50V. Ehrlacher, T. Lelièvre, P. Monmarché.
  
  Adaptive force biasing algorithms: new convergence results and tensor approximations of the bias, December 2019, working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02314426
• 51V. Ehrlacher, D. Lombardi, O. Mula, F.-X. Vialard.
  
  Nonlinear model reduction on metric spaces. Application to one-dimensional conservative PDEs in Wasserstein spaces, September 2019, https://arxiv.org/abs/1909.06626 - working paper or preprint.
  
  https://hal.inria.fr/hal-02290431
• 52G. Ferré, G. Stoltz.
  
  Large deviations of the empirical measure of diffusions in fine topologies with applications, June 2019, https://arxiv.org/abs/1906.09411 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02164793
• 53S. Gaucher, O. Klopp, G. Robin.
  
  Link Prediction in the Stochastic Block Model with Outliers, November 2019, https://arxiv.org/abs/1911.13122 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02386940
• 54M. F. Herbst, M. Scheurer, t. Fransson, D. R. Rehn, A. Dreuw.
  
  adcc: A versatile toolkit for rapid development of algebraic-diagrammatic construction methods, October 2019, https://arxiv.org/abs/1910.07757 - 30 pages, 7 figures.
  
  https://hal.archives-ouvertes.fr/hal-02319517
• 55B. Jourdain, T. Lelièvre, P.-A. Zitt.
  
  Convergence of metadynamics: discussion of the adiabatic hypothesis, April 2019, https://arxiv.org/abs/1904.08667 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02104961
• 56F. Legoll, T. Lelièvre, K. Myerscough, G. Samaey.
  
  Parareal computation of stochastic differential equations with time-scale separation: a numerical study, December 2019, https://arxiv.org/abs/1912.09240 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02421240
• 57B. Leimkuhler, M. Sachs, G. Stoltz.
  
  Hypocoercivity properties of adaptive Langevin dynamics, August 2019, https://arxiv.org/abs/1908.09363 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02273261
• 58L. Pillaud-Vivien, F. Bach, T. Lelièvre, A. Rudi, G. Stoltz.
  
  Statistical Estimation of the Poincaré constant and Application to Sampling Multimodal Distributions, November 2019, https://arxiv.org/abs/1910.14564 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02327453
• 59G. Stoltz, P. Terrier.
  
  A mathematical justification of the finite time approximation of Becker-Doring equations by a Fokker-Planck dynamics, March 2019, https://arxiv.org/abs/1810.01462 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02065570
• 60Z. Trstanova, B. Leimkuhler, T. Lelièvre.
  
  Local and Global Perspectives on Diffusion Maps in the Analysis of Molecular Systems, April 2019, https://arxiv.org/abs/1901.06936 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02104963
• 61T. Wang, G. Stoltz, P. Plechac.
  
  Convergence of the likelihood ratio method for linear response of non-equilibrium stationary states, November 2019, https://arxiv.org/abs/1910.02479 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-02385582