93 citations · 677 across the 26 of their papers we have counts for
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A Molecular Density Functional Theory Approach to Electron Transfer Reactions
Guillaume Jeanmairet, Benjamin Rotenberg, Maximilien Levesque +2
Beyond the dielectric continuum description initiated by Marcus theory, the nowadays standard theoretical approach to study electron transfer (ET) reactions in solution or at inter…
High-throughput free energies and water maps for drug discovery by molecular density functional theory
Sohvi Luukkonen, Luc Belloni, Daniel Borgis +1
The hydration or binding free energy of a drug-like molecule is a key data for early stage drug discovery. Hundreds of thousands of evaluations are needed, which rules out the exha…
Screened Coulombic Orientational Correlations in Dilute Aqueous Electrolytes
Luc Belloni, Daniel Borgis, Maximilien Levesque
The ion-induced long-range orientational order between water molecules recently observed in second harmonic scattering experiments and illustrated with large scale molecular dynami…