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.
• 6T. 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

• 7M. Josien.
  
  Mathematical and numerical study of some multi-scale models from materials science, Université Paris-Est, November 2018.
  
  https://hal.archives-ouvertes.fr/tel-01988719
• 8J. Roussel.
  
  Theoretical and numerical analysis of non-reversible dynamics in computational statistical physics+, MSTIC graduate school / University of Marne-la-vallée, November 2018.
  
  https://tel.archives-ouvertes.fr/tel-01964722
• 9P. Terrier.
  
  Numerical simulations for predicting the microstructural evolution of ferritic alloys. A study of Cluster Dynamics, Université Paris-Est, December 2018.
  
  https://tel.archives-ouvertes.fr/tel-01990556

Articles in International Peer-Reviewed Journals

• 10A. Benaceur, V. Ehrlacher, A. Ern, S. Meunier.
  
  A progressive reduced basis/empirical interpolation method for nonlinear parabolic problems, in: SIAM Journal on Scientific Computing, 2018, vol. 40, n^o 5, pp. A2930-A2955, https://arxiv.org/abs/1710.00511.
  
  https://hal.archives-ouvertes.fr/hal-01599304
• 11X. 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
• 12X. Blanc, P.-L. Lions, C. Le Bris.
  
  On correctors for linear elliptic homogenization in the presence of local defects: the case of advection-diffusion, in: Journal de Mathématiques Pures et Appliquées, 2018, https://arxiv.org/abs/1801.10330. [ DOI : 10.1016/j.matpur.2018.04.010 ]
  
  https://hal.archives-ouvertes.fr/hal-01697105
• 13S. Boyaval, A. Caboussat, A. Mrad, M. Picasso, G. Steiner.
  
  A semi-Lagrangian splitting method for the numerical simulation of sediment transport with free surface flows, in: Computers & Fluids, August 2018, vol. 172, pp. 384-396.
  
  https://hal-enpc.archives-ouvertes.fr/hal-01940147
• 14E. Cancès, G. Dusson, Y. Maday, B. Stamm, M. Vohralík.
  
  Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: a unified framework, in: Numerische Mathematik, July 2018, vol. 140, n^o 4, pp. 1033-1079. [ DOI : 10.1007/s00211-018-0984-0 ]
  
  https://hal.inria.fr/hal-01483461
• 15P. Cardaliaguet, C. Le Bris, P. E. Souganidis.
  
  Perturbation problems in homogenization of hamilton-jacobi equations, in: Journal de Mathématiques Pures et Appliquées, 2019, https://arxiv.org/abs/1701.05440.
  
  https://hal.archives-ouvertes.fr/hal-01435744
• 16D. Chafaï, G. Ferré.
  
  Simulating Coulomb gases and log-gases with hybrid Monte Carlo algorithms, in: Journal of Statistical Physics, November 2018, https://arxiv.org/abs/1806.05985. [ DOI : 10.1007/s10955-018-2195-6 ]
  
  https://hal.archives-ouvertes.fr/hal-01818268
• 17L. Chamoin, F. Legoll.
  
  A posteriori error estimation and adaptive strategy for the control of MsFEM computations, in: Computer Methods in Applied Mechanics and Engineering, 2018, vol. 336, pp. 1-38, https://arxiv.org/abs/1709.03624. [ DOI : 10.1016/j.cma.2018.02.016 ]
  
  https://hal.archives-ouvertes.fr/hal-01586825
• 18G. Faure, G. Stoltz.
  
  Stable and accurate schemes for smoothed dissipative particle dynamics, in: Applied Mathematics and Mechanics, January 2018, vol. 39, n^o 1, pp. 83-102, https://arxiv.org/abs/1707.04232. [ DOI : 10.1007/s10483-018-2256-8 ]
  
  https://hal.archives-ouvertes.fr/hal-01562490
• 19G. Ferré, H. Touchette.
  
  Adaptive Sampling of Large Deviations, in: Journal of Statistical Physics, September 2018, vol. 172, n^o 6, pp. 1525 - 1544. [ DOI : 10.1007/s10955-018-2108-8 ]
  
  https://hal.archives-ouvertes.fr/hal-01938825
• 20G. Fort, B. Jourdain, T. Lelièvre, G. Stoltz.
  
  Convergence and efficiency of adaptive importance sampling techniques with partial biasing, in: Journal of Statistical Physics, March 2018, vol. 171, n^o 2, pp. 220–268, https://arxiv.org/abs/1610.09194. [ DOI : 10.1007/s10955-018-1992-2 ]
  
  https://hal.archives-ouvertes.fr/hal-01389996
• 21C. L. Hall, T. Hudson, P. V. Meurs.
  
  Asymptotic analysis of boundary layers in a repulsive particle system, in: Acta Applicandae Mathematicae, February 2018, https://arxiv.org/abs/1609.03236. [ DOI : 10.1007/s10440-017-0119-0 ]
  
  https://hal.archives-ouvertes.fr/hal-01398449
• 22F. 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, https://arxiv.org/abs/1807.02431 - Accepte version of the article. 37 pages (including references), 13 Figures, 3 Tables. [ DOI : 10.1016/j.cpc.2019.01.005 ]
  
  https://hal.archives-ouvertes.fr/hal-01832823
• 23J. Infante Acevedo, T. Lelièvre.
  
  A non linear approximation method for solving high dimensional partial differential equations: Application in finance, in: Mathematics and Computers in Simulation, January 2018, vol. 143, pp. 14-34, https://arxiv.org/abs/1309.3731. [ DOI : 10.1016/j.matcom.2016.07.013 ]
  
  https://hal-enpc.archives-ouvertes.fr/hal-00861892
• 24M. Josien, Y.-P. Pellegrini, F. Legoll, C. Le Bris.
  
  Fourier-based numerical approximation of the Weertman equation for moving dislocations, in: International Journal for Numerical Methods in Engineering, 2018, vol. 113, n^o 12, pp. 1827-1850, https://arxiv.org/abs/1704.04489. [ DOI : 10.1002/nme.5723 ]
  
  https://hal.archives-ouvertes.fr/hal-01510158
• 25M. Kaercher, S. Boyaval, M. Grepl, K. Veroy.
  
  Reduced basis approximation and a posteriori error bounds for 4D-Var data assimilation, in: Optimization and Engineering, June 2018, vol. 2018, n^o 3, https://arxiv.org/abs/1802.02328. [ DOI : 10.1007/s11081-018-9389-2 ]
  
  https://hal.inria.fr/hal-01556304
• 26C. Le Bris, F. Legoll, S. Lemaire.
  
  On the best constant matrix approximating an oscillatory matrix-valued coefficient in divergence-form operators, in: ESAIM: Control, Optimisation and Calculus of Variations, 2018, https://arxiv.org/abs/1612.05807. [ DOI : 10.1051/cocv/2017061 ]
  
  https://hal.archives-ouvertes.fr/hal-01420187
• 27T. Lelièvre, L. Pillaud-Vivien, J. Reygner.
  
  Central Limit Theorem for stationary Fleming–Viot particle systems in finite spaces, in: ALEA : Latin American Journal of Probability and Mathematical Statistics, September 2018, vol. 15, pp. 1163-1182, https://arxiv.org/abs/1806.04490. [ DOI : 10.30757/ALEA.v15-43 ]
  
  https://hal-enpc.archives-ouvertes.fr/hal-01812120
• 28J. Roussel, G. Stoltz.
  
  Spectral methods for Langevin dynamics and associated error estimates, in: ESAIM: Mathematical Modelling and Numerical Analysis, September 2018, vol. 52, n^o 3, pp. 1051-1083, https://arxiv.org/abs/1702.04718. [ DOI : 10.1051/m2an/2017044 ]
  
  https://hal.archives-ouvertes.fr/hal-01470251
• 29B. 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, 2018. [ DOI : 10.1002/qua.25669 ]
  
  https://hal.archives-ouvertes.fr/hal-01793770
• 30G. Stoltz, Z. Trstanova.
  
  Langevin dynamics with general kinetic energies, in: Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, May 2018, vol. 16, n^o 2, pp. 777-806, https://arxiv.org/abs/1609.02891. [ DOI : 10.1137/16M110575X ]
  
  https://hal.archives-ouvertes.fr/hal-01364821
• 31G. Stoltz, E. Vanden-Eijnden.
  
  Longtime convergence of the Temperature-Accelerated Molecular Dynamics Method, in: Nonlinearity, July 2018, vol. 31, n^o 8, pp. 3748-3769, https://arxiv.org/abs/1708.08800. [ DOI : 10.1088/1361-6544/aac541 ]
  
  https://hal.archives-ouvertes.fr/hal-01578911

Other Publications

• 32C. Andrieu, A. Durmus, N. Nüsken, J. Roussel.
  
  Hypocoercivity of Piecewise Deterministic Markov Process-Monte Carlo, December 2018, https://arxiv.org/abs/1808.08592 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01941467
• 33X. Blanc, M. Josien, C. Le Bris.
  
  Precised approximations in elliptic homogenization beyond the periodic setting, December 2018, https://arxiv.org/abs/1812.07220 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01958207
• 34X. Blanc, C. Le Bris, P.-L. Lions.
  
  On correctors for linear elliptic homogenization in the presence of local defects, January 2018, https://arxiv.org/abs/1801.10335 - working paper or preprint. [ DOI : 10.1080/03605302.2018.1484764 ]
  
  https://hal.archives-ouvertes.fr/hal-01697104
• 35T. Boiveau, V. Ehrlacher, A. Ern, A. Nouy.
  
  Low-rank approximation of linear parabolic equations by space-time tensor Galerkin methods, October 2018, https://arxiv.org/abs/1712.07256 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01668316
• 36C.-E. Bréhier, T. Lelièvre.
  
  On a new class of score functions to estimate tail probabilities of some stochastic processes with Adaptive Multilevel Splitting, November 2018, working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01923385
• 37E. Cancès, L.-L. Cao, G. Stoltz.
  
  Removing a slab from the Fermi sea: the reduced Hartree-Fock model, October 2018, https://arxiv.org/abs/1807.06960 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01891488
• 38E. Cancès, G. Dusson, Y. Maday, B. Stamm, M. Vohralík.
  
  Post-processing of the planewave approximation of Schrödinger equations. Part I: linear operators, November 2018, working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01908039
• 39E. Cancès, V. Ehrlacher, D. Gontier, A. Levitt, D. Lombardi.
  
  Numerical quadrature in the Brillouin zone for periodic Schrödinger operators, May 2018, https://arxiv.org/abs/1805.07144 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01796582
• 40E. Cancès, V. Ehrlacher, F. Legoll, B. Stamm, S. Xiang.
  
  An embedded corrector problem for homogenization. Part I: Theory, July 2018, https://arxiv.org/abs/1807.05131 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01840993
• 41E. Cancès, V. Ehrlacher, F. Legoll, B. Stamm, S. Xiang.
  
  An embedded corrector problem for homogenization. Part II: Algorithms and discretization, October 2018, https://arxiv.org/abs/1810.09885 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01903486
• 42A. Damle, A. Levitt, L. Lin.
  
  Variational formulation for Wannier functions with entangled band structure, January 2018, https://arxiv.org/abs/1801.08572 - 26 pages, 10 figures.
  
  https://hal.archives-ouvertes.fr/hal-01696529
• 43G. Ferré, M. Rousset, G. Stoltz.
  
  More on the long time stability of Feynman-Kac semigroups, November 2018, https://arxiv.org/abs/1807.00390 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01911620
• 44G. Ferré, G. Stoltz.
  
  Error estimates on ergodic properties of discretized Feynman-Kac semigroups, January 2018, https://arxiv.org/abs/1712.04013 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01690532
• 45D. Gontier, A. Levitt, S. Siraj-Dine.
  
  Numerical construction of Wannier functions through homotopy, December 2018, https://arxiv.org/abs/1812.06746 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01955842
• 46T. J. Hudson, F. Legoll, T. Lelièvre.
  
  Stochastic homogenization of a scalar viscoelastic model exhibiting stress-strain hysteresis, February 2018, https://arxiv.org/abs/1802.05549 - 35 pages, 4 figures.
  
  https://hal.archives-ouvertes.fr/hal-01710772
• 47M. Josien.
  
  Decomposition and pointwise estimates of periodic Green functions of some elliptic equations with periodic oscillatory coefficients, July 2018, working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01848268
• 48F. Legoll, T. Lelièvre, U. Sharma.
  
  Effective dynamics for non-reversible stochastic differential equations: a quantitative study, September 2018, https://arxiv.org/abs/1809.10498 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01883330
• 49T. Lelièvre, D. Le Peutrec, B. Nectoux.
  
  Exit event from a metastable state and Eyring-Kramers law for the overdamped Langevin dynamics, November 2018, https://arxiv.org/abs/1811.06786 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01696187
• 50T. Lelièvre.
  
  Mathematical foundations of Accelerated Molecular Dynamics methods, January 2018, https://arxiv.org/abs/1801.05347 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01686062
• 51T. Lelièvre, M. Rousset, G. Stoltz.
  
  Hybrid Monte Carlo methods for sampling probability measures on submanifolds, July 2018, https://arxiv.org/abs/1807.02356 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01832820
• 52T. Lelièvre, G. Samaey, P. Zieliński.
  
  Analysis of a micro-macro acceleration method with minimum relative entropy moment matching, January 2018, https://arxiv.org/abs/1801.01740 - 40 pages.
  
  https://hal.archives-ouvertes.fr/hal-01680761
• 53T. Lelièvre, W. Zhang.
  
  Pathwise estimates for effective dynamics: the case of nonlinear vectorial reaction coordinates, May 2018, https://arxiv.org/abs/1805.01928 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01794919
• 54A. Levitt.
  
  Screening in the finite-temperature reduced Hartree-Fock model, October 2018, https://arxiv.org/abs/1810.03342 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01889411
• 55J. Roussel, G. Stoltz.
  
  A perturbative approach to control variates in molecular dynamics, February 2018, https://arxiv.org/abs/1712.08022 - working paper or preprint.
  
  https://hal.archives-ouvertes.fr/hal-01709265