Frédéric LEGOLL
- Organization: ENPC
- Research Unit: UR
Navier, Heterogeneous
structures team
- Phone: 33 1 64 15 37 81
- Fax: 33 1 64 15 37 41
- E-mail: legoll at lami.enpc.fr
- Office: V 014
- Mail:
LAMI - ENPC
6 et 8 avenue Blaise Pascal
Cité
Descartes - Champs sur Marne
77455 Marne la Vallée Cedex 2 (FRANCE)
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I am currently a researcher at UR
Navier (LAMI laboratory), Ecole Nationale des Ponts et Chaussées.
During the year 2004-2005, I was a postdoctoral fellow at the Institute for
Mathematics and its Applications (IMA, part of the University of
Minnesota, Minneapolis). I participated in the thematic year on Mathematics of Materials and
Macromolecules: Multiple Scales, Disorder, and Singularities.
I defended my PhD thesis on August 31st, 2004
(abstract, ps.gz (862 Ko) or pdf (2.5
Mo) file):
Title: Molecular and multiscale methods for the numerical
simulation of materials.
Keywords: description of materials at several scales, model
coupling, continuum mechanics, molecular mechanics, variational
problems, molecular dynamics, numerical analysis, hamiltonian dynamics.
Supervisors: Claude Le
Bris (CERMICS) and Yvon
Maday (Laboratoire
Jacques-Louis Lions, University Paris 6).
My resume (pdf file).
Forthcoming events:
Research themes:
- Methods and algorithms for molecular dynamics (see the website of the
Action de Recherche Collaborative INRIA
PRESTISSIMO).
- Numerical analysis of micro-macro models for solids, coupling
an atomistic model with a continuum mechanics model.
See also the Action Concertée Incitative Simulation
moléculaire webpage.
Journal articles:
- C. Le Bris and F. Legoll, Integrators for highly oscillatory Hamiltonian systems: an homogenization approach,
Discrete and Continuous Dynamical Systems - B, vol. 13 (2), 347-373
(2010).
- A. Iacobucci, F. Legoll, S. Olla and G. Stoltz, Thermal conductivity of the Toda lattice with conservative noise, arxiv preprint 0912.3416, december 2009.
- B. Dickson, F. Legoll, T. Lelièvre, G. Stoltz and
P. Fleurat-Lessard, Free energy calculations: An efficient adaptive biasing potential method, arxiv preprint 0911.2090, november 2009.
- F. Legoll and T. Lelièvre, Effective dynamics using conditional
expectations, arxiv preprint 0906.4865, june 2009.
- R. Costaouec, C. Le Bris and F. Legoll, Approximation numérique d'une classe de problèmes en
homogénéisation stochastique (Numerical approximation of a class of problems in stochastic
homogenization), C. R. Acad. Sci. Paris, Série I, vol. 348 (1-2), 99-103 (2010).
- F. Legoll, Multiscale methods coupling atomistic and continuum mechanics:
some examples of mathematical analysis,
in Analytical and Numerical Aspects of Partial Differential Equations,
E. Emmrich and P. Wittbold eds.,
de
Gruyter Proceedings in Mathematics, 193-245 (2009).
- F. Legoll, M. Luskin and R. Moeckel, Non-ergodicity of
Nosé-Hoover dynamics,
Nonlinearity, vol. 22 (7), 1673-1694 (2009).
- M. Hammoud, D. Duhamel, K. Sab and F. Legoll, Coupled Discrete
and Continuum Approach to the Behavior of Ballast, Ninth
International Conference on Computational Structures Technology
proceeding, Athens (september 2008).
- E. Cancès, F. Legoll, M.-C. Marinica, K. Minoukadeh and F. Willaime,
Some improvements of the activation-relaxation technique method for finding
transition pathways on potential energy surfaces,
Journal of Chemical Physics, vol. 130 (11), 114711 (2009).
- X. Blanc, C. Le Bris, F. Legoll and C. Patz, Finite-temperature
coarse-graining of one-dimensional models: mathematical analysis and
computational approaches, INRIA preprint RR-6544 (may 2008),
accepted for publication in Journal of Nonlinear Science.
- B. Leimkuhler, F. Legoll and E. Noorizadeh, A temperature control
technique for nonequilibrium molecular simulation,
Journal of Chemical Physics, vol. 128 (7), 074105 (2008).
- F. Legoll, T. Lelièvre and G. Stoltz, Some remarks on sampling
methods in molecular dynamics, ESAIM Proceedings, vol. 22, 217-233
(2008).
- C. Le Bris and F. Legoll, Dérivation de schémas numériques
symplectiques pour des systèmes hamiltoniens hautement oscillants
(derivation of symplectic numerical schemes for highly oscillatory
hamiltonian systems),
C. R. Acad. Sci. Paris, Série I, vol. 344 (4), 277-282 (2007).
- F. Legoll, M. Luskin and R. Moeckel, Non-ergodicity of the
Nosé-Hoover Thermostatted Harmonic Oscillator, Archive for
Rational Mechanics and Analysis, vol. 184 (3), 449-463 (2007).
- E. Cancès, F. Legoll and G. Stoltz, Theoretical and numerical
comparison of some sampling methods for molecular dynamics,
Mathematical Modelling and Numerical Analysis, vol. 41 (2), 351-389
(2007).
- X. Blanc, C. Le Bris and F. Legoll,
Analysis of a prototypical multiscale method coupling atomistic and
continuum mechanics: the convex case, Acta Mathematicae Applicatae
Sinica, vol. 23 (2), 209-216 (2007).
- X. Blanc, C. Le Bris and F. Legoll,
Analysis of a prototypical multiscale method coupling atomistic and
continuum mechanics, Mathematical Modelling and Numerical
Analysis, vol. 39 (4), 797-826 (2005).
- Numerical homogenization of nonlinear viscoplastic
two-dimensional polycrystals, Computational and Applied Mathematics,
vol. 23 (2-3), 309-325 (2004).
- E. Cancès, F. Castella, Ph. Chartier, E. Faou, C. Le Bris, F. Legoll and G. Turinici,
High-order averaging schemes with error bounds for thermodynamical
properties calculations by molecular dynamics simulations, Journal
of Chemical Physics, vol. 121 (21), 10346-10355 (2004).
- E. Cancès, F. Castella, Ph. Chartier, E. Faou, C. Le Bris, F. Legoll and G. Turinici, Long-time averaging for integrable Hamiltonian
dynamics, Numerische Mathematik, vol. 100 (2), 211-232 (2005).
- F. Legoll and R. Monneau, Designing reversible measure invariant algorithms
with applications to molecular dynamics, Journal of Chemical
Physics, vol. 117 (23), 10452-10464 (2002).
Conferences:
-
Mini-symposium
Numerical methods and their applications in molecular simulation
(ICNAAM 2009 conference, Crete,
September 18-22, 2009), organized with E. Cancès.
-
Mini-symposium "Multimodel and Multiscale Approaches in Solid Mechanics: Algorithms and
Applications Advances" (10th US National
Congress on Computational Mechanics, Columbus, July 16-19, 2009),
organized with H. Ben Dhia.
-
Workshop Numerical
methods in molecular simulation (HIM, Bonn, April 7-11, 2008),
organised with Tony
Lelièvre, Mathias
Rousset and Gabriel
Stoltz.
-
Workshop on Models and numerical methods
for granular materials (ENPC, November 19-21, 2007),
organized with François
Castella (this workshop is part of the GdR CHANT activities).
-
Mini-symposium Molecular dynamics (SciCADE 2007 conference,
Saint-Malo, July 9-13, 2007), organised with Eric Darve.
-
Conference on Molecular
simulation: algorithmic and mathematical aspects (IHP, Paris, 1-3 december 2004).
-
Workshop PRESTISSIMO
(IHP, Paris, 11-12 december 2003), on Molecular dynamics and long
term integration.
Short term visits:
Teaching activities:
- since sept. 2008: Multiscale problems: theoretical and numerical aspects (M2
Mathématiques et Applications, Université Pierre et Marie Curie Paris 6).
- since sept. 2006: Mathematics of multiscale models (39h in the
second term), with Mathieu Lewin.
- in 2007-2008: Introduction to statistical physics and quantum
physics (39h in the second term), with Ismaila Dabo, Jean-Noel Roux
and Stephane Rodts.
- since sept. 2002: Analysis course (36h in the first term), managed
by Eric Cancès.
More details on the cursus at the ENPC.
Links
Last update: december 2009.