| Molecular Density Functional Theory of Water G Jeanmairet, M Levesque, R Vuilleumier, D Borgis The Journal of Physical Chemistry Letters 4, 619, 2013 | 112 | 2013 |
| Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections VP Sergiievskyi, G Jeanmairet, M Levesque, D Borgis The Journal of Physical Chemistry Letters 5, 1935–1942, 2014 | 94 | 2014 |
| Solvation free-energy pressure corrections in the three dimensional reference interaction site model V Sergiievskyi, G Jeanmairet, M Levesque, D Borgis The Journal of Chemical Physics 143 (18), 2015 | 93 | 2015 |
| Simple concentration-dependent pair interaction model for large-scale simulations of Fe-Cr alloys M Levesque, E Martínez, CC Fu, M Nastar, F Soisson Physical Review B—Condensed Matter and Materials Physics 84 (18), 184205, 2011 | 89 | 2011 |
| Scalar fundamental measure theory for hard spheres in three dimensions: Application to hydrophobic solvation M Levesque, R Vuilleumier, D Borgis The Journal of Chemical Physics 137 (3), 034115, 2012 | 69 | 2012 |
| Scaffold-constrained molecular generation M Langevin, H Minoux, M Levesque, M Bianciotto Journal of chemical information and modeling 60 (12), 5637-5646, 2020 | 68 | 2020 |
| Molecular Density Functional Theory of Water describing Hydrophobicity at Short and Long Length Scales G Jeanmairet, M Levesque, D Borgis The Journal of chemical physics 139 (15), 154101, 2013 | 58 | 2013 |
| Accounting for adsorption and desorption in Lattice Boltzmann simulations M Levesque, M Duvail, I Pagonabarraga, D Frenkel, B Rotenberg Physical Review E 88 (1), 013308, 2013 | 52 | 2013 |
| Solvation of complex surfaces via molecular density functional theory M Levesque, V Marry, B Rotenberg, G Jeanmairet, R Vuilleumier, ... The Journal of chemical physics 137 (22), 2012 | 45 | 2012 |
| Efficient molecular density functional theory using generalized spherical harmonics expansions L Ding, M Levesque, D Borgis, L Belloni The Journal of Chemical Physics 147 (9), 2017 | 44 | 2017 |
| Structure and dynamics in yttrium-based molten rare earth alkali fluorides M Levesque, V Sarou-Kanian, M Salanne, M Gobet, H Groult, C Bessada, ... The Journal of Chemical Physics 138 (18), 2013 | 44 | 2013 |
| Molecular density functional theory for water with liquid-gas coexistence and correct pressure G Jeanmairet, M Levesque, V Sergiievskyi, D Borgis The Journal of Chemical Physics 142 (15), 2015 | 39 | 2015 |
| Unexpected coupling between flow and adsorption in porous media JM Vanson, FX Coudert, B Rotenberg, M Levesque, C Tardivat, M Klotz, ... Soft matter 11 (30), 6125-6133, 2015 | 36 | 2015 |
| A molecular density functional theory approach to electron transfer reactions G Jeanmairet, B Rotenberg, M Levesque, D Borgis, M Salanne Chemical science 10 (7), 2130-2143, 2019 | 34 | 2019 |
| Taylor dispersion with adsorption and desorption M Levesque, O Bénichou, R Voituriez, B Rotenberg Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 86 (3 …, 2012 | 34 | 2012 |
| Electronic origin of the anomalous segregation behavior of Cr in Fe-rich Fe-Cr alloys M Levesque, M Gupta, RP Gupta Physical Review B—Condensed Matter and Materials Physics 85 (6), 064111, 2012 | 34 | 2012 |
| Molecular density functional theory of water including density–polarization coupling G Jeanmairet, N Levy, M Levesque, D Borgis Journal of Physics: Condensed Matter 28 (24), 244005, 2016 | 30 | 2016 |
| Tackling solvent effects by coupling electronic and molecular density functional theory G Jeanmairet, M Levesque, D Borgis Journal of Chemical Theory and Computation 16 (11), 7123-7134, 2020 | 29 | 2020 |
| Hydration free energies and solvation structures with molecular density functional theory in the hypernetted chain approximation S Luukkonen, M Levesque, L Belloni, D Borgis The Journal of Chemical Physics 152 (6), 2020 | 29 | 2020 |
| Screened coulombic orientational correlations in dilute aqueous electrolytes L Belloni, D Borgis, M Levesque The Journal of Physical Chemistry Letters 9 (8), 1985-1989, 2018 | 29 | 2018 |
Daniel BorgisDirecteur de Recherche au CNRSایمیل تأیید شده در ens.fr
