160 citations · 1.1k across the 30 of their papers we have counts for
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Solvation of complex surfaces via molecular density functional theory
Maximilien Levesque, Virginie Marry, Benjamin Rotenberg +3
We show that classical molecular density functional theory (MDFT), here in the homogeneous reference fluid approximation in which the functional is inferred from the properties of…
Scalar fundamental measure theory for hard spheres in three dimensions. Application to hydrophobic solvation
Maximilien Levesque, Rodolphe Vuilleumier, Daniel Borgis
Hard-sphere mixtures provide one a solvable reference system that can be used to improve the density functional theory of realistic molecular fluids. We show how the Kierlik-Rosinb…
A transferable ab-initio based force field for aqueous ions
Sami Tazi, John J. Molina, Benjamin Rotenberg +3
We present a new polarizable force field for aqueous ions (Li+, Na+, K+, Rb+, Cs+, Mg2+, Ca2+, Sr2+ and Cl-) derived from condensed phase ab-initio calculations. We use Maximally L…
Including many-body effects in models for ionic liquids
Mathieu Salanne, Benjamin Rotenberg, Sandro Jahn +3
Realistic modeling of ionic systems necessitates taking explicitly account of many-body effects. In molecular dynamics simulations, it is possible to introduce explicitly these eff…