Members
Overall Objectives
Research Program
Application Domains
New Results
Bilateral Contracts and Grants with Industry
Partnerships and Cooperations
Dissemination
Bibliography
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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]
T. 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

[7]
D. Aristoff, T. Lelièvre, G. Simpson.
The parallel replica method for simulating long trajectories of Markov chains, in: Applied Mathematics Research eXpress, 2014, vol. 2, pp. 332-352, 12 pages, 4 figures. [ DOI : 10.1093/amrx/abu005 ]
https://hal.archives-ouvertes.fr/hal-00934516
[8]
S. Boyaval.
A new model for shallow viscoelastic free-surface flows forced by gravity on rough inclined bottom, in: ESAIM: Proceedings, 2014, vol. 45, pp. 108 - 117.
https://hal-enpc.archives-ouvertes.fr/hal-01077067
[9]
J. Comer, J. Gumbart, H. Jérome, T. Lelièvre, P. Andrew, C. Chipot.
The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask, in: Journal of Physical Chemistry B, 2014, pp. 1129–1151.
https://hal-enpc.archives-ouvertes.fr/hal-01091948
[10]
A.-A. Homman, E. Bourasseau, G. Stoltz, P. Malfreyt, L. Strafella, A. Ghoufi.
Surface tension of spherical drops from surface of tension, in: The Journal of Chemical Physics, January 2014, vol. 140, no 3, 034110 p. [ DOI : 10.1063/1.4862149 ]
https://hal.archives-ouvertes.fr/hal-00932843
[11]
N. James, A. Caboussat, S. Boyaval, M. Picasso.
Numerical simulation of 3D free surface flows, with multiple incompressible immiscible phases. Applications to impulse waves , in: International Journal for Numerical Methods in Fluids, 2014, pp. 00:1–24.
https://hal-enpc.archives-ouvertes.fr/hal-01074886
[12]
F. Lipparini, L. Lagardère, G. Scalmani, B. Stamm, E. Cancès, Y. Maday, J.-P. Piquemal, M. J. Frisch, B. Mennucci.
Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum Approach, in: Journal of Physical Chemistry Letters, February 2014, vol. 5, pp. 953-958. [ DOI : 10.1021/jz5002506 ]
http://hal.upmc.fr/hal-00956401

International Conferences with Proceedings

[13]
I. G. Tejada, L. Brochard, G. Stoltz, F. Legoll, T. Lelièvre, E. Cancès.
Combining a reactive potential with a harmonic approximation for molecular dynamics simulation of failure: construction of a reduced potential, in: 3rd International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE), Madrid, Spain, August 2014.
https://hal.archives-ouvertes.fr/hal-01095102

Other Publications

[14]
J. Aghili, S. Boyaval, D. A. Di Pietro.
Hybridization of mixed high-order methods on general meshes and application to the Stokes equations, June 2014.
https://hal.archives-ouvertes.fr/hal-01009723
[15]
H. Alrachid, V. Ehrlacher, A. Marceau, K. Tekkal.
Statistical methods for critical scenarios in aeronautics, September 2014, 14 pages, 5 figures.
https://hal.archives-ouvertes.fr/hal-01061369
[16]
E. Audusse, S. Boyaval, N. Goutal, M. Jodeau, P. Ung.
Numerical Simulation of the Dynamics of Sedimentary River Beds with a Stochastic Exner Equation, December 2014.
https://hal.archives-ouvertes.fr/hal-01102335
[17]
A. Binder, G. Simpson, T. Lelièvre.
A Generalized Parallel Replica Dynamics, April 2014, 21 pages, 14 figures, 5 tables.
https://hal.inria.fr/hal-00983282
[18]
S. Brisard, F. Legoll.
Periodic homogenization using the Lippmann–Schwinger formalism, November 2014.
https://hal.archives-ouvertes.fr/hal-01080251
[19]
C.-E. Bréhier.
A short introduction to Stochastic PDEs, April 2014, The content is based on the lectures delivered at CERMICS in March 2014.
https://hal.archives-ouvertes.fr/hal-00973887
[20]
C.-E. Bréhier, L. Goudenège, L. Tudela.
Central Limit Theorem for Adaptative Multilevel Splitting Estimators in an Idealized Setting, October 2014.
https://hal.archives-ouvertes.fr/hal-01074155
[21]
C.-E. Bréhier, T. Lelièvre, M. Rousset.
Analysis of Adaptive Multilevel Splitting algorithms in an idealized case, May 2014.
https://hal.archives-ouvertes.fr/hal-00987297
[22]
E. Cances, V. Ehrlacher, F. Legoll, B. Stamm.
An embedded corrector problem to approximate the homogenized coefficients of an elliptic equation, January 2015.
https://hal.archives-ouvertes.fr/hal-01100681
[23]
E. Cancès, G. Dusson, Y. Maday, B. Stamm, M. Vohralík.
A perturbation-method-based a posteriori estimator for the planewave discretization of nonlinear Schrödinger equations, May 2014.
https://hal.archives-ouvertes.fr/hal-00994568
[24]
F. Casenave, A. Ern, T. Lelièvre.
A nonintrusive Reduced Basis Method applied to aeroacoustic simulations, January 2014, 27 pages, 7 figures.
https://hal.archives-ouvertes.fr/hal-00934641
[25]
M. Fathi, A.-A. Homman, G. Stoltz.
Error analysis of the transport properties of Metropolized schemes, February 2014.
https://hal.archives-ouvertes.fr/hal-00952768
[26]
G. Fort, B. Jourdain, T. Lelièvre, G. Stoltz.
Self-Healing Umbrella Sampling: Convergence and efficiency, October 2014.
https://hal.archives-ouvertes.fr/hal-01073201
[27]
R. Joubaud, G. Pavliotis, G. Stoltz.
Langevin dynamics with space-time periodic nonequilibrium forcing, March 2014.
https://hal.archives-ouvertes.fr/hal-00957938
[28]
F. Legoll, W. Minvielle.
A control variate approach based on a defect-type theory for variance reduction in stochastic homogenization, July 2014.
https://hal.archives-ouvertes.fr/hal-01053459
[29]
F. Legoll, W. Minvielle, A. Obliger, M. Simon.
A parameter identification problem in stochastic homogenization, February 2014.
https://hal.archives-ouvertes.fr/hal-00942730
[30]
T. Lelièvre.
Accelerated dynamics: Mathematical foundations and algorithmic improvements, January 2015.
https://hal.archives-ouvertes.fr/hal-01100917
[31]
M. Rousset.
A N-uniform quantitative Tanaka's theorem for the conservative Kac's N-particle system with Maxwell molecules, December 2014.
https://hal.archives-ouvertes.fr/hal-01020012
[32]
H. Spohn, G. Stoltz.
Nonlinear Fluctuating Hydrodynamics in One Dimension: the Case of Two Conserved Fields, October 2014.
https://hal.archives-ouvertes.fr/hal-01078720