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1

Non-Ergodicity of the Nosé–Hoover Thermostatted Harmonic Oscillator

Frédéric Legoll, Mitchell Luskin, Richard Moeckel

Journal:

Archive for Rational Mechanics and Analysis

Year:

2007

Language:

english

File:

PDF, 385 KB

english, 2007

2

An MsFEM Type Approach for Perforated Domains

Le Bris, Claude, Legoll, Frédéric, Lozinski, Alexei

Journal:

Multiscale Modeling and Simulation

Year:

2014

Language:

english

File:

PDF, 2.61 MB

english, 2014

3

Stress Gradient Elasticity Theory: Existence and Uniqueness of Solution

Sab, Karam, Legoll, Frédéric, Forest, Samuel

Journal:

Journal of Elasticity

Year:

2016

Language:

english

File:

PDF, 1.24 MB

english, 2016

4

Theoretical and numerical comparison of some sampling methods for molecular dynamics

Cancès, Eric, Legoll, Frédéric, Stoltz, Gabriel

Journal:

ESAIM Mathematical Modelling and Numerical Analysis

Year:

2007

Language:

english

File:

PDF, 1.05 MB

english, 2007

5

A posteriori error estimation and adaptive strategy for the control of MsFEM computations

Chamoin, Ludovic, Legoll, Frédéric

Journal:

Computer Methods in Applied Mechanics and Engineering

Year:

2018

Language:

english

File:

PDF, 2.38 MB

english, 2018

6

Some remarks on sampling methods in Molecular Dynamics

Legoll, Frédéric, Lelièvre, Tony, Stoltz, Gabriel, Caloz, Gabriel, Dauge, Monique

Journal:

ESAIM Proceedings

Year:

2008

Language:

english

File:

PDF, 241 KB

english, 2008

7

An embedded corrector problem for homogenization. Part II: Algorithms and discretization

CancÃ¨s, Eric, Ehrlacher, Virginie, Legoll, FrÃ©dÃ©ric, Stamm, Benjamin, Xiang, Shuyang

Journal:

Journal of Computational Physics

Year:

2020

File:

PDF, 1.28 MB

2020

8

Ferromagnetostrukturelle Beziehungen in den Verbindungen [Mn(OC6X3H2)2(bpy)]2, X = Cl, Br

Dr. Marcel Wesolek, Dr. Daniel Meyer, Prof. Dr. John A. Osborn, Dr. André de Cian, Prof. Dr. Jean Fischer, Alain Derory, Dr. Patrick Legoll, Dr. Marc Drillon

Journal:

Angewandte Chemie

Year:

1994

Language:

german

File:

PDF, 635 KB

german, 1994

9

Ferromagneto-Structural Correlations in [Mn(OC6X3H2)2(bipy)]2 Compounds, X Cl, Br

Dr. Marcel Wesolek, Dr. Daniel Meyer, Prof. Dr. John A. Osborn, Dr. André De Cian, Prof. Dr. Jean Fischer, Ing. Alain Derory, Dr. Patrick Legoll, Dir. Dr. Marc Drillon

Journal:

Angewandte Chemie International Edition

Year:

1994

Language:

english

File:

PDF, 383 KB

english, 1994

10

Dérivation de schémas numériques symplectiques pour des systèmes hamiltoniens hautement oscillants

Claude Le Bris, Frédéric Legoll

Journal:

Comptes Rendus Mathematique

Year:

2007

File:

PDF, 250 KB

2007

11

Approximation numérique d'une classe de problèmes en homogénéisation stochastique

Ronan Costaouec, Claude Le Bris, Frédéric Legoll

Journal:

Comptes Rendus Mathematique

Year:

2010

File:

PDF, 184 KB

2010

12

Symplectic schemes for highly oscillatory Hamiltonian systems with varying fast frequencies

Matthew Dobson, Claude Le Bris, Frédéric Legoll

Journal:

Comptes Rendus Mathematique

Year:

2010

Language:

french

File:

PDF, 331 KB

french, 2010

13

Long-time averaging for integrable Hamiltonian dynamics

Eric Cancès, François Castella, Philippe Chartier, Erwan Faou, Claude Le Bris, Frédéric Legoll, Gabriel Turinici

Journal:

Numerische Mathematik

Year:

2005

Language:

english

File:

PDF, 306 KB

english, 2005

14

Finite-Temperature Coarse-Graining of

X. Blanc, C. Le Bris, F. Legoll, C. Patz

Journal:

Journal of Nonlinear Science

Year:

2010

Language:

english

File:

PDF, 967 KB

english, 2010

15

Analysis of a Prototypical Multiscale Method Coupling Atomistic and Continuum Mechanics: the Convex Case

Xavier Blanc, Claude Le Bris, Frédéric Legoll

Journal:

Acta Mathematicae Applicatae Sinica, English Series

Year:

2007

Language:

english

File:

PDF, 159 KB

english, 2007

16

Thermal Conductivity of the Toda Lattice with

Alessandra Iacobucci, Frédéric Legoll, Stefano Olla, Gabriel Stoltz

Journal:

Journal of Statistical Physics

Year:

2010

Language:

english

File:

PDF, 523 KB

english, 2010

17

Negative thermal conductivity of chains of rotors with mechanical forcing

Iacobucci, Alessandra, Legoll, Frédéric, Olla, Stefano, Stoltz, Gabriel

Journal:

Physical Review E

Year:

2011

Language:

english

File:

PDF, 513 KB

english, 2011

18

Magnetic properties of the quasi-1D compounds M2Cu2O5 with M = Y, In, Sc or a rare earth

J.L. Paillaud, P. Legoll, M. Drillon

Journal:

Journal of Magnetism and Magnetic Materials

Year:

1991

Language:

english

File:

PDF, 442 KB

english, 1991

19

1D ferrimagnetism in copper(II) trimetric chains: Specific heat and magnetic behavior of A3Cu3(PO4)4 with A = Ca, Sr

M. Drillon, M. Belaiche, P. Legoll, J. Aride, A. Boukhari, A. Moqine

Journal:

Journal of Magnetism and Magnetic Materials

Year:

1993

Language:

english

File:

PDF, 701 KB

english, 1993

20

MsFEM

Claude Le Bris, Frédéric Legoll, Alexei Lozinski

Journal:

Chinese Annals of Mathematics, Series B

Year:

2013

Language:

english

File:

PDF, 387 KB

english, 2013

21

A numerical strategy for coarse-graining two-dimensional atomistic models at finite temperature: The membrane case

Blanc, X., Legoll, F.

Journal:

Computational Materials Science

Year:

2013

Language:

english

File:

PDF, 618 KB

english, 2013

22

Symmetric parareal algorithms for Hamiltonian systems

Dai, Xiaoying, Le Bris, Claude, Legoll, Frédéric, Maday, Yvon

Journal:

ESAIM Mathematical Modelling and Numerical Analysis

Year:

2013

Language:

english

File:

PDF, 1.81 MB

english, 2013

23

Magnetism of A-copper(II) bimetallic chain compounds (A = iron, cobalt, nickel): one- and three-dimensional behaviors

Van Koningsbruggen, Petra J., Kahn, Olivier, Nakatani, Keitaro, Pei, Yu, Renard, Jean Pierre, Drillon, Marc, Legoll, Patrick

Journal:

Inorganic Chemistry

Year:

1990

Language:

english

File:

PDF, 845 KB

english, 1990

24

Approximation grossière dʼun problème elliptique à coefficients hautement oscillants

Le Bris, Claude, Legoll, Frédéric, Li, Kun

Journal:

Comptes Rendus Mathematique

Year:

2013

File:

PDF, 225 KB

2013

25

Variance reduction in stochastic homogenization: proof of concept, using antithetic variables

Ronan Costaouec, Claude Le Bris, Frédéric Legoll

Journal:

Year:

2010

Language:

english

File:

PDF, 302 KB

english, 2010

26

Free Energy Calculations: An Efficient Adaptive Biasing Potential Method

Dickson, Bradley M., Legoll, Frédéric, Lelièvre, Tony, Stoltz, Gabriel, Fleurat-Lessard, Paul

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 294 KB

english, 2010

27

Effective Dynamics for a Kinetic Monte–Carlo Model with Slow and Fast Time Scales

Lahbabi, Salma, Legoll, FrÃ©dÃ©ric

Journal:

Journal of Statistical Physics

Year:

2013

Language:

english

File:

PDF, 1.22 MB

english, 2013

28

Ferromagnetism in triangular cobalt(II) layers: comparison of cobalt dihydroxide and cobalt nitrate hydroxide (Co2(NO3)(OH)3)

Rabu, P., Angelov, S., Legoll, P., Belaiche, M., Drillon, M.

Journal:

Inorganic Chemistry

Year:

1993

Language:

english

File:

PDF, 726 KB

english, 1993

29

Crystallographic and magnetic studies of the mixed pyrophosphates AMnP2O7, A  Co, Ni, Cu

Benkhouja, K., Sadel, A., Zahir, M., Legoll, P., Drillon, M.

Journal:

Journal of Alloys and Compounds

Year:

1992

Language:

english

File:

PDF, 256 KB

english, 1992

30

Very High-Field Magnetization and Intermolecular Interactions:Application to {[tmen(2-MeIm)Cu]2(C2O4)}(PF6)2 (tmen = N,N,N',N'-Tetramethylethylenediamine, 2-MeIm = 2-Methylimidazole)

Bergerat, Pierre, Kahn, Olivier, Legoll, Patrick, Drillon, Marc, Guillot, Maurice

Journal:

Inorganic Chemistry

Year:

1994

Language:

english

File:

PDF, 845 KB

english, 1994

31

Synthesis, crystal structure and magnetic properties of a dinuclear copper(II) complex with 1,1?-(4-methylpyrazole-3,5-diyl)diacetaldehyde dioxime. Evidence for both classical and zwitterion structures

Mernari, Boucha�b, Abraham, Francis, Lagrenee, Michel, Drillon, Marc, Legoll, Patrick

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1993

Language:

english

File:

PDF, 625 KB

english, 1993

32

Synthesis, coordination and magnetic properties of a novel family of stable chelate based biradicals: molecular structure of a 2,2?-bipyridine N-oxide N-oxyl biradical and its copper(II) complex

Luneau, Dominique, Laugier, Jean, Rey, Paul, Ulrich, Gilles, Ziessel, Raymond, Legoll, Patrick, Drillon, Marc

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1994

Language:

english

File:

PDF, 316 KB

english, 1994

33

High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations

Cancès, Eric, Castella, François, Chartier, Philippe, Faou, Erwan, Le Bris, Claude, Legoll, Frédéric, Turinici, Gabriel

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 407 KB

english, 2004

34

A Micro-Macro Parareal Algorithm: Application to Singularly Perturbed Ordinary Differential Equations

Legoll, Frédéric, Lelièvre, Tony, Samaey, Giovanni

Journal:

SIAM Journal on Scientific Computing

Year:

2013

Language:

english

File:

PDF, 555 KB

english, 2013

35

Designing reversible measure invariant algorithms with applications to molecular dynamics

Legoll, Frédéric, Monneau, Régis

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 417 KB

english, 2002

36

Asymptotic Behavior of Green Functions of Divergence form Operators with Periodic Coefficients

Blanc, X., Legoll, F., Anantharaman, A.

Journal:

Applied Mathematics Research eXpress

Year:

2012

Language:

english

File:

PDF, 221 KB

english, 2012

37

Effective dynamics using conditional expectations

Legoll, Frédéric, Lelièvre, Tony

Journal:

Year:

2010

Language:

english

File:

PDF, 729 KB

english, 2010

38

Non-ergodicity of Nosé–Hoover dynamics

Legoll, Frédéric, Luskin, Mitchell, Moeckel, Richard

Journal:

Year:

2009

Language:

english

File:

PDF, 2.75 MB

english, 2009

39

Multiscale Finite Element approach for “weakly” random problems and related issues

Le Bris, Claude, Legoll, Frédéric, Thomines, Florian

Journal:

ESAIM Mathematical Modelling and Numerical Analysis

Year:

2014

Language:

english

File:

PDF, 657 KB

english, 2014

40

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

Legoll, Frédéric, Thomines, Florian

Journal:

ESAIM Mathematical Modelling and Numerical Analysis

Year:

2014

Language:

english

File:

PDF, 527 KB

english, 2014

41

Derivation of Langevin dynamics in a nonzero background flow field

Dobson, Matthew, Legoll, Frédéric, Lelièvre, Tony, Stoltz, Gabriel

Journal:

ESAIM Mathematical Modelling and Numerical Analysis

Year:

2013

Language:

english

File:

PDF, 1.03 MB

english, 2013

42

Some improvements of the activation-relaxation technique method for finding transition pathways on potential energy surfaces

Cancès, E., Legoll, F., Marinica, M.-C., Minoukadeh, K., Willaime, F.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 454 KB

english, 2009

43

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

Dobson, M., Le Bris, C., Legoll, F.

Journal:

IMA Journal of Numerical Analysis

Year:

2013

Language:

english

File:

PDF, 2.06 MB

english, 2013

44

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

Cancès, Éric, Ehrlacher, Virginie, Legoll, Frédéric, Stamm, Benjamin

Journal:

Comptes Rendus Mathematique

Year:

2015

File:

PDF, 296 KB

2015

45

Finite-Temperature Quasi-Continuum

Tadmor, E. B., Legoll, F., Kim, W. K., Dupuy, L. M., Miller, R. E.

Journal:

Applied Mechanics Reviews

Year:

2013

Language:

english

File:

PDF, 7.02 MB

english, 2013

46

Special quasirandom structures: A selection approach for stochastic homogenization

Le Bris, Claude, Legoll, Frédéric, Minvielle, William

Journal:

Monte Carlo Methods and Applications

Year:

2016

Language:

english

File:

PDF, 1.04 MB

english, 2016

47

Stabilisation de problèmes non coercifs via une méthode numérique utilisant la mesure invariante

Le Bris, Claude, Legoll, Frédéric, Madiot, François

Journal:

Comptes Rendus Mathematique

Year:

2016

File:

PDF, 418 KB

2016

48

Coupling a reactive potential with a harmonic approximation for atomistic simulations of material failure

Tejada, Ignacio G., Brochard, Laurent, Lelièvre, Tony, Stoltz, Gabriel, Legoll, Frédéric, Cancès, Eric

Journal:

Computer Methods in Applied Mechanics and Engineering

Year:

2016

Language:

english

File:

PDF, 1.73 MB

english, 2016

49

Combining a reactive potential with a harmonic approximation for molecular dynamics simulation of failure: construction of a reduced potential

Tejada, I G, Brochard, L, Stoltz, G, Legoll, F, Lelièvre, T, Cancès, E

Journal:

Journal of Physics Conference Series

Year:

2015

Language:

english

File:

PDF, 795 KB

english, 2015

50

Multilevel Monte Carlo Approaches for Numerical Homogenization

Efendiev, Yalchin, Kronsbein, Cornelia, Legoll, Frédéric

Journal:

Multiscale Modeling and Simulation

Year:

2015

Language:

english

File:

PDF, 605 KB

english, 2015