| 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 | 478 | 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 | 298 | 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 | 177 | 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 | 126 | 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 | 122 | 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 | 119 | 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 | 92 | 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 | 87 | 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 | 84 | 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 | 71 | 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 | 66 | 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 | 61 | 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 | 60 | 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 | 59 | 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 | 55 | 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 | 53 | 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 | 53 | 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 | 53 | 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 | 52 | 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 | 47 | 2014 |
Nico van der VegtProfessor of Physical Chemistry, Technische Universität DarmstadtVerified email at cpc.tu-darmstadt.de
