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

• 7D. Gontier.
  Mathematical contributions to electronic structure calculations, Universite Paris Est, September 2015.
  https://hal.archives-ouvertes.fr/tel-01238627

Articles in International Peer-Reviewed Journals

• 8J. Aghili, S. Boyaval, D. A. Di Pietro.
  Hybridization of mixed high-order methods on general meshes and application to the Stokes equations, in: Computational Methods in Applied Mathematics, March 2015. [ DOI : 10.1515/cmam-2015-0004 ]
  https://hal.archives-ouvertes.fr/hal-01009723
• 9E. Audusse, S. Boyaval, N. Goutal, M. Jodeau, P. Ung.
  Numerical Simulation of the Dynamics of Sedimentary River Beds with a Stochastic Exner Equation, in: ESAIM: Proceedings and Surveys, January 2015. [ DOI : 10.1051/proc/201448015 ]
  https://hal.archives-ouvertes.fr/hal-01102335
• 10X. Blanc, C. Le Bris, P. L. Lions.
  Local profiles and elliptic problems at different scales with defects, in: Comptes Rendus Mathématique, January 2015, pp. 203-208. [ DOI : 10.1016/j.crma.2015.01.003 ]
  https://hal.archives-ouvertes.fr/hal-01143311
• 11F. Bouchut, S. Boyaval.
  Unified derivation of thin-layer reduced models for shallow free-surface gravity flows of viscous fluids, in: European Journal of Mechanics - B/Fluids, January 2016, vol. 55, n^o 1, pp. 116-131. [ DOI : 10.1016/j.euromechflu.2015.09.003 ]
  https://hal-enpc.archives-ouvertes.fr/hal-00833468
• 12C.-E. Bréhier, T. Lelièvre, M. Rousset.
  Analysis of Adaptive Multilevel Splitting algorithms in an idealized case, in: ESAIM: Probability and Statistics, October 2015, vol. 19. [ DOI : 10.1051/ps/2014029 ]
  https://hal.archives-ouvertes.fr/hal-00987297
• 13E. Cances, V. Ehrlacher, F. Legoll, B. Stamm.
  An embedded corrector problem to approximate the homogenized coefficients of an elliptic equation, in: Comptes Rendus Mathématique, 2015, vol. 353, n^o 9, pp. 801-806.
  https://hal.archives-ouvertes.fr/hal-01100681
• 14J. Comer, J. C. Gumbart, J. Hénin, T. Lelièvre, A. Pohorille, C. Chipot.
  The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask, in: Journal of Physical Chemistry B, January 2015, vol. 119, n^o 3, pp. 1129–1151. [ DOI : 10.1021/jp506633n ]
  https://hal.archives-ouvertes.fr/hal-01238593
• 15Y. Efendiev, C. Kronsbein, F. Legoll.
  Multi-Level Monte Carlo approaches for numerical homogenization, in: Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, 2015, vol. 13, n^o 4, pp. 1107-1135.
  https://hal.archives-ouvertes.fr/hal-00776287
• 16G. Fort, B. Jourdain, E. KUHN, T. Lelièvre, G. Stoltz.
  Convergence of the Wang-Landau algorithm, in: Mathematics of Computation, September 2015, vol. 84, n^o 295. [ DOI : 10.1090/S0025-5718-2015-02952-4 ]
  https://hal.inria.fr/hal-01238595
• 17B. Jourdain, T. Lelièvre, B. Miasojedow.
  Optimal scaling for the transient phase of the random walk Metropolis algorithm: The mean-field limit, in: The Annals of Applied Probability, August 2015, vol. 25, n^o 4. [ DOI : 10.1214/14-AAP1048 ]
  https://hal.archives-ouvertes.fr/hal-00748055
• 18L. Lagardere, F. Lipparini, E. Polack, B. Stamm, E. Cances, M. Schnieders, P. Ren, Y. Maday, J.-P. Piquemal.
  Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II. Towards Massively Parallel Computations using Smooth Particle Mesh Ewald, in: Journal of Chemical Theory and Computation, June 2015, vol. 11, n^o 6, pp. 2589–2599. [ DOI : 10.1021/acs.jctc.5b00171 ]
  http://hal.upmc.fr/hal-01223161
• 19C. Le Bris, P. Rouchon, J. Roussel.
  Adaptive low-rank approximation and denoised Monte Carlo approach for high-dimensional Lindblad equations, in: Physical Review, December 2015. [ DOI : 10.1103/PhysRevA.92.062126 ]
  https://hal-mines-paristech.archives-ouvertes.fr/hal-01252664
• 20F. Legoll, W. Minvielle.
  A control variate approach based on a defect-type theory for variance reduction in stochastic homogenization, in: Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, 2015, vol. 13, n^o 2, pp. 519-550.
  https://hal.archives-ouvertes.fr/hal-01053459
• 21F. Legoll, W. Minvielle.
  Variance reduction using antithetic variables for a nonlinear convex stochastic homogenization problem, in: Discrete and Continuous Dynamical Systems - Series S, 2015, vol. 8, n^o 1, pp. 1-27.
  https://hal.archives-ouvertes.fr/hal-00784187
• 22F. Legoll, W. Minvielle, A. Obliger, M. Simon.
  A parameter identification problem in stochastic homogenization, in: ESAIM: Proceedings, 2015, vol. 48, pp. 190-214.
  https://hal.archives-ouvertes.fr/hal-00942730
• 23T. Lelièvre, F. Nier.
  Low temperature asymptotics for Quasi-Stationary Distributions in a bounded domain, in: Analysis & PDE, 2015, vol. 8, n^o 3, pp. 561-628. [ DOI : 10.2140/apde.2015.8.561 ]
  https://hal.archives-ouvertes.fr/hal-00862624
• 24T. Lelièvre, G. Simpson.
  A generalized parallel replica dynamics, in: Journal of Computational Physics, March 2015, vol. 284, 21 pages, 14 figures, 5 tables. [ DOI : 10.1016/j.jcp.2015.01.002 ]
  https://hal.inria.fr/hal-00983282

Other Publications

• 25H. Alrachid, T. Lelièvre.
  Long-time convergence of an adaptive biasing force method: Variance reduction by Helmholtz projection, May 2015, 33 pages, 20 figures.
  https://hal.archives-ouvertes.fr/hal-01151894
• 26H. Alrachid, T. Lelièvre, R. Talhouk.
  Local and global solution for a nonlocal Fokker-Planck equation related to the adaptive biasing force process, December 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01244976
• 27R. Assaraf, B. Jourdain, T. Lelièvre, R. Roux.
  Computation of sensitivities for the invariant measure of a parameter dependent diffusion, September 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01192862
• 28A. Bakhta, V. Ehrlacher.
  Global existence of bounded weak solutions to degenerate cross-diffusion equations in moving domain, December 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01238636
• 29X. Blanc, C. Le Bris, F. Legoll.
  Some variance reduction methods for numerical stochastic homogenization, September 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01196499
• 30X. Blanc, C. Le Bris, P.-L. Lions.
  Local profiles for elliptic problems at different scales: defects in, and interfaces between periodic structures, April 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01143193
• 31C.-E. Bréhier, M. Gazeau, L. Goudenège, T. Lelièvre, M. Rousset.
  Unbiasedness of some generalized Adaptive Multilevel Splitting algorithms, April 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01142704
• 32E. Cancès, G. Dusson, Y. Maday, B. Stamm, M. Vohralík.
  Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: conforming approximations, September 2015, working paper or preprint.
  https://hal.inria.fr/hal-01194364
• 33E. Cancès, D. Gontier, G. Stoltz.
  A mathematical analysis of the GW0 method for computing electronic excited state energies of molecules, June 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01160926
• 34E. Cancès, N. Mourad.
  Existence of optimal norm-conserving pseudopotentials for Kohn-Sham models, April 2015, working paper or preprint.
  https://hal.inria.fr/hal-01139375
• 35E. Cancès, L. R. Scott.
  Van der Waals interactions between two-hydrogen atoms : the Slater-Kirkwood method revisited, May 2015, working paper or preprint.
  https://hal.inria.fr/hal-01153387
• 36F. Casenave, A. Ern, T. Lelièvre.
  Variants of the Empirical Interpolation Method: symmetric formulation, choice of norms and rectangular extension, August 2015, 7 pages.
  https://hal.archives-ouvertes.fr/hal-01186039
• 37G. Di Gesù, D. Le Peutrec.
  Small noise spectral gap asymptotics for a large system of nonlinear diffusions, June 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01164510
• 38A. B. Duncan, T. Lelièvre, G. A. Pavliotis.
  Variance Reduction using Nonreversible Langevin Samplers, June 2015, 29 pages.
  https://hal.archives-ouvertes.fr/hal-01164466
• 39V. Ehrlacher, C. Ortner, A. Shapeev.
  Analysis of boundary conditions for crystal defect atomistic simulations, December 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01238637
• 40M. Fathi, G. Stoltz.
  Improving dynamical properties of stabilized discretizations of overdamped Langevin dynamics, May 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01153573
• 41G. Ferre, J.-B. Maillet, G. Stoltz.
  Permutation-invariant distance between atomic configurations, July 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01175794
• 42D. Gontier.
  Pure-state N-representability in current-spin-density-functional theory, December 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01238622
• 43D. Gontier, S. Lahbabi.
  Convergence rates of supercell calculations in the reduced Hartree-Fock model, December 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01238623
• 44A.-A. Homman, J.-B. Maillet, J. Roussel, G. Stoltz.
  New parallelizable schemes for integrating the Dissipative Particle Dynamics with Energy Conservation, July 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01180558
• 45T. Hudson.
  Upscaling a model for the thermally-driven motion of screw dislocations, October 2015, 32 pages, 2 figures, 1 table.
  https://hal.archives-ouvertes.fr/hal-01236494
• 46C. Le Bris, F. Legoll, F. Madiot.
  A numerical comparison of some Multiscale Finite Element approaches for convection-dominated problems in heterogeneous media, November 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01235642
• 47C. Le Bris, F. Legoll, W. Minvielle.
  Special Quasirandom Structures: a selection approach for stochastic homogenization, September 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01194480
• 48T. Lelièvre.
  Accelerated dynamics: Mathematical foundations and algorithmic improvements, January 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01100917
• 49T. Lelièvre, R. Talhouk, H. Alrachid.
  Local and global solution for a nonlocal Fokker-Planck equation related to the adaptive biaising force processes, October 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01220313
• 50I. G. Tejada, L. Brochard, T. Lelièvre, G. Stoltz, F. Legoll, E. Cances.
  Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure, September 2015, working paper or preprint.
  https://hal.archives-ouvertes.fr/hal-01196505