Team Matherials
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
  • 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

  • 7D. 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
  • 8S. 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
  • 9J. 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
  • 10A.-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
  • 11N. 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
  • 12F. 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

  • 13I. 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


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