Team, Visitors, External Collaborators
Overall Objectives
Research Program
Highlights of the Year
New Software and Platforms
New Results
Bilateral Contracts and Grants with Industry
Partnerships and Cooperations
Dissemination
Bibliography
XML PDF e-pub
PDF e-Pub


Bibliography

Major publications by the team in recent years
[1]
E. 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).
[2]
E. 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.
[3]
I. 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.
[4]
J.-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.
[5]
C. 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.
[6]
C. 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.
[7]
T. 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

[8]
G. 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
[9]
P.-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

[10]
A. 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
[11]
R. 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, no 4, 044306 p. [ DOI : 10.1063/1.5108575 ]
https://hal.archives-ouvertes.fr/hal-02281362
[12]
X. 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
[13]
X. Blanc, M. Josien, C. Le Bris.
Precised approximations in elliptic homogenization beyond the periodic setting, in: Asymptotic Analysis, January 2020, vol. 116, no 2, pp. 93-137, https://arxiv.org/abs/1812.07220. [ DOI : 10.3233/ASY-191537 ]
https://hal.archives-ouvertes.fr/hal-01958207
[14]
T. 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, no 2, pp. 635-658, https://arxiv.org/abs/1712.07256. [ DOI : 10.1051/m2an/2018073 ]
https://hal.archives-ouvertes.fr/hal-01668316
[15]
C.-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
[16]
E. 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, no 1, pp. 156-195, https://arxiv.org/abs/1807.06960. [ DOI : 10.1088/1361-6544/ab4c7d/meta ]
https://hal.archives-ouvertes.fr/hal-01891488
[17]
E. 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
[18]
P. 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
[19]
D. Chafaï, G. Ferré.
Simulating Coulomb gases and log-gases with hybrid Monte Carlo algorithms, in: Journal of Statistical Physics, February 2019, vol. 174, no 3, pp. 692–714, https://arxiv.org/abs/1806.05985. [ DOI : 10.1007/s10955-018-2195-6 ]
https://hal.archives-ouvertes.fr/hal-01818268
[20]
H. D. Cornean, D. Gontier, A. Levitt, D. Monaco.
Localised Wannier functions in metallic systems, in: Annales Henri Poincaré, April 2019, vol. 20, no 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
[21]
G. 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, no 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
[22]
G. 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
[23]
G. Ferré, G. Stoltz.
Error estimates on ergodic properties of discretized Feynman-Kac semigroups, in: Numerische Mathematik, July 2019, vol. 143, no 2, pp. 261–313, https://arxiv.org/abs/1712.04013. [ DOI : 10.1007/s00211-019-01059-1 ]
https://hal.archives-ouvertes.fr/hal-01690532
[24]
D. 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
[25]
T. 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
[26]
F. 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
[27]
A. Iacobucci, S. Olla, G. Stoltz.
Convergence rates for nonequilibrium Langevin dynamics, in: Annales mathématiques du Québec, April 2019, vol. 43, no 1, pp. 73-98, https://arxiv.org/abs/1702.03685. [ DOI : 10.1007/s40316-017-0091-0 ]
https://hal.archives-ouvertes.fr/hal-01467131
[28]
M. Josien.
Decomposition and pointwise estimates of periodic Green functions of some elliptic equations with periodic oscillatory coefficients, in: Asymptotic Analysis, 2019, vol. 112, no 3-4, pp. 227–246.
https://hal.archives-ouvertes.fr/hal-01848268
[29]
C. 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, no 2, pp. 773-825, https://arxiv.org/abs/1710.09331. [ DOI : 10.1137/17M1152048 ]
https://hal.archives-ouvertes.fr/hal-01624049
[30]
F. Legoll, T. Lelièvre, U. Sharma.
Effective dynamics for non-reversible stochastic differential equations: a quantitative study, in: Nonlinearity, 2019, vol. 32, no 12, pp. 4779-4816, https://arxiv.org/abs/1809.10498. [ DOI : 10.1088/1361-6544/ab34bf ]
https://hal.archives-ouvertes.fr/hal-01883330
[31]
T. Lelièvre, M. Rousset, G. Stoltz.
Hybrid Monte Carlo methods for sampling probability measures on submanifolds, in: Numerische Mathematik, June 2019, vol. 143, no 2, pp. 379–421, https://arxiv.org/abs/1807.02356. [ DOI : 10.1007/s00211-019-01056-4 ]
https://hal.archives-ouvertes.fr/hal-01832820
[32]
T. 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
[33]
T. 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, no 3, pp. 1019-1051, https://arxiv.org/abs/1805.01928. [ DOI : 10.1137/18M1186034 ]
https://hal.archives-ouvertes.fr/hal-02383239
[34]
L. 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, no 11, pp. 1198-1208, https://arxiv.org/abs/1707.00950. [ DOI : 10.1002/jcc.25778 ]
https://hal.archives-ouvertes.fr/hal-02383173
[35]
J. 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, no 1, pp. 552–591, https://arxiv.org/abs/1712.08022. [ DOI : 10.1137/18M1171047 ]
https://hal.archives-ouvertes.fr/hal-01709265
[36]
B. 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

[37]
S. 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)

[38]
G. 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
[39]
T. 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

[40]
A. 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
[41]
J. 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
[42]
S. Boyaval.
Viscoelastic flows with conservation laws, August 2019, https://arxiv.org/abs/1908.03344 - working paper or preprint.
https://hal.inria.fr/hal-02262298
[43]
S. 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
[44]
E. 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
[45]
E. 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
[46]
D. 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
[47]
L. 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
[48]
G. 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
[49]
V. 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
[50]
V. 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
[51]
V. 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
[52]
G. 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
[53]
S. 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
[54]
M. 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
[55]
B. 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
[56]
F. 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
[57]
B. 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
[58]
L. 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
[59]
G. 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
[60]
Z. 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
[61]
T. 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