Frédéric Leroy
Frédéric Leroy
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What is the contact angle of water on graphene?
F Taherian, V Marcon, NFA van der Vegt, F Leroy
Langmuir 29 (5), 1457-1465, 2013
Are There Stable Ion-Pairs in Room-Temperature Ionic Liquids? Molecular Dynamics Simulations of 1-n-Butyl-3-methylimidazolium Hexafluorophosphate
W Zhao, F Leroy, B Heggen, S Zahn, B Kirchner, S Balasubramanian, ...
Journal of the American Chemical Society 131 (43), 15825-15833, 2009
Interphase structure in silica–polystyrene nanocomposites: a coarse-grained molecular dynamics study
A Ghanbari, TVM Ndoro, F Leroy, M Rahimi, MC Böhm, ...
Macromolecules 45 (1), 572-584, 2012
Soret and mass diffusion measurements and molecular dynamics simulations of n-pentane–n-decane mixtures
A Perronace, C Leppla, F Leroy, B Rousseau, S Wiegand
The Journal of chemical physics 116 (9), 3718-3729, 2002
Solid-liquid surface free energy of Lennard-Jones liquid on smooth and rough surfaces computed by molecular dynamics using the phantom-wall method
F Leroy, F Müller-Plathe
The Journal of chemical physics 133 (4), 044110, 2010
Self-diffusion of n-alkanes in silicalite using molecular dynamics simulation: A comparison between rigid and flexible frameworks
F Leroy, B Rousseau, AH Fuchs
Physical Chemistry Chemical Physics 6 (4), 775-783, 2004
Keggin polyoxoanions in aqueous solution: Ion pairing and its effect on dynamic properties by molecular dynamics simulations
F Leroy, P Miró, JM Poblet, C Bo, J Bonet Ávalos
The Journal of Physical Chemistry B 112 (29), 8591-8599, 2008
Interfacial excess free energies of solid–liquid interfaces by molecular dynamics simulation and thermodynamic integration
F Leroy, DJVA Dos Santos, F Müller‐Plathe
Macromolecular rapid communications 30 (9‐10), 864-870, 2009
Thermal rectification in nanosized model systems: A molecular dynamics approach
M Alaghemandi, F Leroy, F Müller-Plathe, MC Böhm
Physical Review B 81 (12), 125410, 2010
Pinning of the Contact Line during Evaporation on Heterogeneous Surfaces: Slowdown or Temporary Immobilization? Insights from a Nanoscale Study
J Zhang, F Müller-Plathe, F Leroy
Langmuir 31 (27), 7544-7552, 2015
Parametrizing Nonbonded Interactions from Wetting Experiments via the Work of Adhesion: Example of Water on Graphene Surfaces
F Leroy, S Liu, J Zhang
Journal of Physical Chemistry C 119 (51), 28470-28481, 2015
Rationalization of the behavior of solid− liquid surface free energy of water in Cassie and Wenzel wetting states on rugged solid surfaces at the nanometer scale
F Leroy, F Müller-Plathe
Langmuir 27 (2), 637-645, 2011
Thermal conductivity reduction through isotope substitution in nanomaterials: predictions from an analytical classical model and nonequilibrium molecular dynamics simulations
G Balasubramanian, IK Puri, MC Böhm, F Leroy
Nanoscale 3 (9), 3714-3720, 2011
Effect of nanoroughness on highly hydrophobic and superhydrophobic coatings
L Mammen, X Deng, M Untch, D Vijayshankar, P Papadopoulos, R Berger, ...
Langmuir 28 (42), 15005-15014, 2012
Shear viscosity of the ionic liquid 1-n-butyl 3-methylimidazolium hexafluorophosphate [bmim][PF6] computed by reverse nonequilibrium molecular dynamics
W Zhao, F Leroy, S Balasubramanian, F Muller-Plathe
Journal of Physical Chemistry B 112 (27), 8129-8133, 2008
Dry-Surface Simulation Method for the Determination of the Work of Adhesion of Solid–Liquid Interfaces
F Leroy, F Müller-Plathe
Langmuir 31 (30), 8335-8345, 2015
Evaporation of nanodroplets on heated substrates: a molecular dynamics simulation study
J Zhang, F Leroy, F Müller-Plathe
Langmuir 29 (31), 9770-9782, 2013
Thermal rectification in mass-graded nanotubes: a model approach in the framework of reverse non-equilibrium molecular dynamics simulations
M Alaghemandi, F Leroy, E Algaer, MC Böhm, F Müller-Plathe
Nanotechnology 21 (7), 075704, 2010
Soret coefficient for liquid argon-krypton mixtures via equilibrium and nonequilibrium molecular dynamics: A comparison with experiments
A Perronace, G Ciccotti, F Leroy, AH Fuchs, B Rousseau
Physical Review E 66 (3), 031201, 2002
Influence of contact-line curvature on the evaporation of nanodroplets from solid substrates
J Zhang, F Leroy, F Müller-Plathe
Physical review letters 113 (4), 046101, 2014
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