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Quelques modèles effectifs pour la modélisation de matériaux à l'échelle atomistique à température finie

Frédéric Legoll
10e colloque national en calcul des structures, May 2011, Giens, France. pp.Clé USB
Communication dans un congrès hal-00592849v1

An embedded corrector problem to approximate the homogenized coefficients of an elliptic equation

Eric Cancès , Virginie Ehrlacher , Frédéric Legoll , Benjamin Stamm
Comptes Rendus. Mathématique, 2015, 353 (9), pp.801-806. ⟨10.1016/j.crma.2015.06.019⟩
Article dans une revue hal-01100681v1

Special Quasirandom Structures: a selection approach for stochastic homogenization

Claude Le Bris , Frédéric Legoll , William Minvielle
Monte Carlo Methods and Applications, 2016, 22 (1), pp.25-54
Article dans une revue hal-01194480v1
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An adaptive parareal algorithm: application to the simulation of molecular dynamics trajectories

Frédéric Legoll , Tony Lelièvre , Upanshu Sharma
SIAM Journal on Scientific Computing, 2022, 44 (1), pp.B146-B176. ⟨10.1137/21M1412979⟩
Article dans une revue hal-03189428v2

Effective dynamics using conditional expectations

Frédéric Legoll , Tony Lelièvre
Nonlinearity, 2010, 23 (9), pp.2131-2163. ⟨10.1088/0951-7715/23/9/006⟩
Article dans une revue hal-00399986v1

Symmetric parareal algorithms for Hamiltonian systems

Xiaoying Dai , Claude Le Bris , Frédéric Legoll , Yvon Maday
ESAIM: Mathematical Modelling and Numerical Analysis, 2013, 47 (3), pp.717-742. ⟨10.1051/m2an/2012046⟩
Article dans une revue hal-00541166v1

Multiscale computations based on MsFEM: model reduction and goal-oriented a posteriori error estimation

Frédéric Legoll , Ludovic Chamoin
8th International Conference on Adaptive Modeling and Simulation - ADMOS 2017, Jun 2017, Verbania, Italy
Communication dans un congrès hal-01583144v1

Free energy calculations: An efficient adaptive biasing potential method

Bradley M. Dickson , Frédéric Legoll , Tony Lelièvre , Gabriel Stoltz , Paul Fleurat-Lessard
Journal of Physical Chemistry B, 2010, 114 (17), pp.5823-5830. ⟨10.1021/jp100926h⟩
Article dans une revue hal-00431332v1

A variance reduction strategy for numerical random homogenization based on the equivalent inclusion method

Sébastien Brisard , Michael Bertin , Frederic Legoll
Computer Methods in Applied Mechanics and Engineering, 2023, 417, pp.116389. ⟨10.1016/j.cma.2023.116389⟩
Article dans une revue hal-04058543v1

Approximation numérique d'une classe de problèmes en homogénéisation stochastique

Ronan Costaouec , Claude Le Bris , Frédéric Legoll
Comptes rendus de l'Académie des sciences. Série I, Mathématique, 2010, 348 (1-2), pp.99--103. ⟨10.1016/j.crma.2009.10.027⟩
Article dans une revue hal-00524819v1

A micro-macro parareal algorithm: application to singularly perturbed ordinary differential equations

Frédéric Legoll , Tony Lelièvre , Giovanni Samaey
SIAM Journal on Scientific Computing, 2013, 35 (4), pp.A1951-A1986. ⟨10.1137/120872681⟩
Article dans une revue hal-00691939v1

Analysis of a prototypical multiscale method coupling atomistic and continuum mechanics: the convex case

Xavier Blanc , Claude Le Bris , Frédéric Legoll
Acta Mathematicae Applicatae Sinica, 2007, 23 (2), pp.209-216. ⟨10.1007/s10255-007-0364-5⟩
Article dans une revue istex hal-01986858v1
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Asymptotic Behavior of Green Functions of Divergence form Operators with Periodic Coefficients

Xavier Blanc , Frédéric Legoll , Arnaud Anantharaman
Applied Mathematics Research eXpress, 2013, 2013, pp.79 - 101. ⟨10.1093/amrx/abs013⟩
Article dans une revue hal-01079280v1

Variance reduction using antithetic variables for a nonlinear convex stochastic homogenization problem

Frédéric Legoll , William Minvielle
Discrete and Continuous Dynamical Systems - Series S, 2015, 8 (1), pp.1-27. ⟨10.3934/dcdss.2015.8.1⟩
Article dans une revue hal-00784187v1

A temperature control technique for nonequilibrium molecular simulation

Benedict Leimkuhler , Frédéric Legoll , Emad Noorizadeh
Journal of Chemical Physics, 2008, 128 (7), pp.074105. ⟨10.1063/1.2829869⟩
Article dans une revue hal-01986798v1

Symplectic schemes for highly oscillatory Hamiltonian systems: the homogenization approach beyond the constant frequency case

Matthew Dobson , Claude Le Bris , Frédéric Legoll
IMA Journal of Numerical Analysis, 2013, 33 (1), pp.30-56. ⟨10.1093/imanum/drs005⟩
Article dans une revue hal-00524814v1

Some remarks on a coupling method for the practical computation of homogenized coefficients

Olga Gorynina , Claude Le Bris , Frédéric Legoll
SIAM Journal on Scientific Computing, 2021, 43 (2), pp.A1273-A1304. ⟨10.1137/20M1339076⟩
Article dans une revue hal-02614896v1

Some remarks on free energy and coarse-graining

Frédéric Legoll , Tony Lelièvre
Engquist, Björn; Runborg, Olof; Tsai, Yen-Hsi R. (Eds.). Numerical analysis and multiscale computations, Springer, 420 p., 2012, Series: Lecture Notes in Computational Science and Engineering, Vol. 82
Chapitre d'ouvrage hal-00511221v1

Introduction to numerical stochastic homogenization and the related computational challenges: some recent developments

Arnaud Anantharaman , Ronan Costaouec , Claude Le Bris , Frédéric Legoll , Florian Thomines
Weizhu Bao and Qiang Du. Multiscale modeling and analysis for materials simulation, World Scientific, 2011, Lecture Notes Series, Institute for Mathematical Sciences, National University of Singapore ; vol. 22
Chapitre d'ouvrage hal-00624354v1

On a variant of random homogenization theory: convergence of the residual process and approximation of the homogenized coefficients

Frédéric Legoll , Florian Thomines
ESAIM: Mathematical Modelling and Numerical Analysis, 2014, 48 (2), pp.347-386. ⟨10.1051/m2an/2013111⟩
Article dans une revue hal-00755230v1
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Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches

Xavier Blanc , Claude Le Bris , Frédéric Legoll , Carsten Patz
Journal of Nonlinear Science, 2010, 20 (2), pp.241-275. ⟨10.1007/s00332-009-9057-y⟩
Article dans une revue inria-00282107v2

Stochastic homogenization of a scalar viscoelastic model exhibiting stress-strain hysteresis

Thomas J. Hudson , Frédéric Legoll , Tony Lelièvre
ESAIM: Mathematical Modelling and Numerical Analysis, 2020, 54 (3), pp.879-928. ⟨10.1051/m2an/2019081⟩
Article dans une revue hal-01710772v1

Combining machine-learned and empirical force fields with the parareal algorithm: application to the diffusion of atomistic defects

Olga Gorynina , Frédéric Legoll , Tony Lelièvre , Danny Perez
Comptes Rendus. Mécanique, 2023, 351 (1), ⟨10.5802/crmeca.220⟩
Article dans une revue hal-03909092v1

Examples of computational approaches for elliptic, possibly multiscale PDEs with random inputs

Claude Le Bris , Frédéric Legoll
Journal of Computational Physics, 2017, 328, pp.455-473. ⟨10.1016/j.jcp.2016.10.027⟩
Article dans une revue hal-01304040v1

Goal-oriented error estimation and adaptivity in MsFEM computations

Ludovic Chamoin , Frédéric Legoll
Computational Mechanics, 2021, ⟨10.1007/s00466-021-01990-x⟩
Article dans une revue hal-03173274v1
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Une équation de Langevin pour la simulation à l'échelle atomistique de fluides hors-équilibre

Matthew Dobson , Frédéric Legoll , Tony Lelièvre , Gabriel Stoltz
11e colloque national en calcul des structures, CSMA, May 2013, Giens, France
Communication dans un congrès hal-01722086v1
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Combining a reactive potential with a harmonic approximation for molecular dynamics simulation of failure: construction of a reduced potential

Ignacio G Tejada , Laurent Brochard , Gabriel Stoltz , Frédéric Legoll , Tony Lelièvre , et al.
3rd International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE), Aug 2014, Madrid, Spain. pp.012041, ⟨10.1088/1742-6596/574/1/012041⟩
Communication dans un congrès hal-01095102v1

Some remarks on sampling methods in molecular dynamics

Frédéric Legoll , Tony Lelièvre , Gabriel Stoltz
ESAIM: Proceedings and Surveys, 2008, 22, pp.217-233. ⟨10.1051/proc:072226⟩
Article dans une revue hal-01986848v1

An introductory review on a posteriori error estimation in Finite Element computations

Ludovic Chamoin , Frederic Legoll
SIAM Review, 2023, 65 (4), pp.963-1028. ⟨10.1137/21M1464841⟩
Article dans une revue hal-03368356v1

An embedded corrector problem for homogenization. Part I: Theory

Eric Cancès , Virginie Ehrlacher , Frédéric Legoll , Benjamin Stamm , Shuyang Xiang
Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, 2020, 18 (3), pp.1179-1209. ⟨10.1137/18M120035X⟩
Article dans une revue hal-01840993v1