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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

Articles in International Peer-Reviewed Journals

  • 7H. Alrachid, T. Lelièvre, R. Talhouk.

    Local and global solution for a nonlocal Fokker–Planck equation related to the adaptive biasing force process, in: Journal of Differential Equations, 2016, vol. 260, no 9, pp. 7032 - 7058. [ DOI : 10.1016/j.jde.2016.01.020 ]

    https://hal.archives-ouvertes.fr/hal-01244976
  • 8F. Aviat, A. Levitt, B. Stamm, Y. Maday, P. Ren, J. W. Ponder, L. Lagardere, J.-P. Piquemal.

    Truncated Conjugate Gradient (TCG): an optimal strategy for the analytical evaluation of the many-body polarization energy and forces in molecular simulations, in: Journal of Chemical Theory and Computation, November 2016. [ DOI : 10.1021/acs.jctc.6b00981 ]

    https://hal.archives-ouvertes.fr/hal-01395833
  • 9X. Blanc, C. Le Bris, F. Legoll.

    Some variance reduction methods for numerical stochastic homogenization, in: Philosophical Transactions of the Royal Society of London. A (1887–1895), 2016, vol. 374, no 2066, 20150168 p.

    https://hal.archives-ouvertes.fr/hal-01196499
  • 10F. 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, no 1, pp. 116-131. [ DOI : 10.1016/j.euromechflu.2015.09.003 ]

    https://hal-enpc.archives-ouvertes.fr/hal-00833468
  • 11C.-E. Bréhier, M. Gazeau, L. Goudenège, T. Lelièvre, M. Rousset.

    Unbiasedness of some generalized adaptive multilevel splitting algorithms, in: The Annals of Applied Probability : an official journal of the institute of mathematical statistics, 2016, vol. 26, no 6, pp. 3559 - 3601. [ DOI : 10.1214/16-AAP1185 ]

    https://hal.archives-ouvertes.fr/hal-01142704
  • 12E. Cancès, D. Gontier, G. Stoltz.

    A mathematical analysis of the GW0 method for computing electronic excited state energies of molecules, in: Reviews in Mathematical Physics, June 2016. [ DOI : 10.1142/S0129055X16500082 ]

    https://hal.archives-ouvertes.fr/hal-01160926
  • 13G. Di Gesù, T. Lelièvre, D. Le Peutrec, B. Nectoux.

    Jump Markov models and transition state theory: the quasi-stationary distribution approach, in: Faraday Discussions, 2016, vol. 260, no 9, pp. 7032 - 7058. [ DOI : 10.1039/C6FD00120C ]

    https://hal.archives-ouvertes.fr/hal-01314233
  • 14A. B. Duncan, T. Lelièvre, G. A. Pavliotis.

    Variance Reduction Using Nonreversible Langevin Samplers, in: Journal of Statistical Physics, 2016, vol. 163, no 3, pp. 457 - 491, 29 pages. [ DOI : 10.1007/s10955-016-1491-2 ]

    https://hal.archives-ouvertes.fr/hal-01164466
  • 15M. Fathi, G. Stoltz.

    Improving dynamical properties of metropolized discretizations of overdamped Langevin dynamics, in: Numerische Mathematik, November 2016. [ DOI : 10.1007/s00211-016-0849-3 ]

    https://hal.archives-ouvertes.fr/hal-01153573
  • 16G. Faure, J. Roussel, J. -B. Maillet, G. Stoltz.

    Size consistency in Smoothed Dissipative Particle Dynamics, in: Physical Review E , October 2016. [ DOI : 10.1103/PhysRevE.94.043305 ]

    https://hal.archives-ouvertes.fr/hal-01345009
  • 17A.-A. Homman, J.-B. Maillet, J. Roussel, G. Stoltz.

    New parallelizable schemes for integrating the Dissipative Particle Dynamics with Energy Conservation, in: The Journal of Chemical Physics, January 2016. [ DOI : 10.1063/1.4937797 ]

    https://hal.archives-ouvertes.fr/hal-01180558
  • 18J. 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, 2016. [ DOI : 10.1016/j.matcom.2016.07.013 ]

    https://hal-enpc.archives-ouvertes.fr/hal-00861892
  • 19T. Jourdan, G. Stoltz, F. Legoll, L. Monasse.

    An accurate scheme to solve cluster dynamics equations using a Fokker-Planck approach, in: Computer Physics Communications, June 2016, vol. 207, 170 p. [ DOI : 10.1016/j.cpc.2016.06.001 ]

    https://hal-cea.archives-ouvertes.fr/cea-01302986
  • 20C. Le Bris, F. Legoll.

    Examples of computational approaches for elliptic, possibly multiscale PDEs with random inputs, in: Journal of Computational Physics, 2017, vol. 328, pp. 455-473.

    https://hal.archives-ouvertes.fr/hal-01304040
  • 21C. Le Bris, F. Legoll, F. Madiot.

    A numerical comparison of some Multiscale Finite Element approaches for advection-dominated problems in heterogeneous media, in: ESAIM: Mathematical Modelling and Numerical Analysis, 2016.

    https://hal.archives-ouvertes.fr/hal-01235642
  • 22C. Le Bris, F. Legoll, F. Madiot.

    Stabilisation de problèmes non coercifs via une méthode numérique utilisant la mesure invariante (Stabilization of non-coercive problems using the invariant measure), in: Comptes Rendus Mathématique, 2016, vol. 354, no 8, pp. 799-803.

    https://hal.archives-ouvertes.fr/hal-01348854
  • 23C. Le Bris, F. Legoll, W. Minvielle.

    Special Quasirandom Structures: a selection approach for stochastic homogenization, in: Monte Carlo Methods and Applications, 2016, vol. 22, no 1, pp. 25-54.

    https://hal.archives-ouvertes.fr/hal-01194480
  • 24T. Lelièvre, G. Stoltz.

    Partial differential equations and stochastic methods in molecular dynamics, in: Acta Numerica, May 2016, vol. 25, pp. 681-880. [ DOI : 10.1017/S0962492916000039 ]

    https://hal.archives-ouvertes.fr/hal-01334088
  • 25B. Marchand, L. Chamoin, C. Rey.

    Real-time updating of structural mechanics models using Kalman filtering, modified Constitutive Relation Error and ProperGeneralized Decomposition, in: International Journal for Numerical Methods in Engineering, 2016. [ DOI : 10.1002/nme.5197 ]

    https://hal.archives-ouvertes.fr/hal-01241738
  • 26S. Redon, G. Stoltz, Z. Trstanova.

    Error Analysis of Modified Langevin Dynamics, in: Journal of Statistical Physics, June 2016. [ DOI : 10.1007/s10955-016-1544-6 ]

    https://hal.archives-ouvertes.fr/hal-01263700
  • 27K. Sab, F. Legoll, S. Forest.

    Stress gradient elasticity theory : existence and uniqueness of solution, in: Journal of Elasticity, 2016, vol. 123, no 2, pp. 179-201. [ DOI : 10.1007/s10659-015-9554-1 ]

    https://hal.archives-ouvertes.fr/hal-01288563
  • 28I. G. Tejada, L. Brochard, T. Lelièvre, G. Stoltz, F. Legoll, E. Cancès.

    Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure, in: Computer Methods in Applied Mechanics and Engineering, 2016, vol. 305, pp. 422 - 440. [ DOI : 10.1016/j.cma.2016.03.011 ]

    https://hal.archives-ouvertes.fr/hal-01196505
  • 29I. Teo, C. G. Mayne, K. Schulten, T. Lelièvre.

    Adaptive Multilevel Splitting Method for Molecular Dynamics Calculation of Benzamidine-Trypsin Dissociation Time, in: Journal of Chemical Theory and Computation, June 2016, vol. 12, no 6, pp. 2983 - 2989. [ DOI : 10.1021/acs.jctc.6b00277 ]

    https://hal.archives-ouvertes.fr/hal-01389074

Conferences without Proceedings

  • 30F. Pled, L. Chamoin, P.-E. Allier, P. Ladevèze.

    On the control of PGD reduced-order approximations: error estimation and adaptivity, in: European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS 2016), Hersonissos, Crete Island, Greece, June 2016.

    https://hal.archives-ouvertes.fr/hal-01306402

Other Publications



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