93 citations · 677 across the 26 of their papers we have counts for
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Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections
Volodymyr P. Sergiievskyi, Guillaume Jeanmairet, Maximilien Levesque +1
Molecular Density Functional Theory (MDFT) offers an efficient implicit- solvent method to estimate molecule solvation free-energies whereas conserving a fully molecular representa…
Hydration of Clays at the Molecular Scale: The Promising Perspective of Classical Density Functional Theory
Guillaume Jeanmairet, Virginie Marry, Maximilien Levesque +2
We report here how the hydration of complex surfaces can be efficiently studied thanks to recent advances in classical molecular density functional theory. This is illustrated on t…
Introduction to Classical Density Functional Theory by a Computational Experiment
Guillaume Jeanmairet, Nicolas Levy, Maximilien Levesque +1
We propose an in-silico experiment to introduce classical density functional theory (cDFT). Den- sity functional theories, whether quantum or classical, rely on abstract concepts t…