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Journal of Chemical Information and Modeling|June 26, 2020
Predicting Hydration Free Energies of the FreeSolv Database of Drug-like Molecules with Molecular Density Functional TheorySohvi Luukkonen, Luc Belloni, Daniel Borgis, et al.The Journal of Chemical Physics|December 20, 2012
Solvation of complex surfaces via molecular density functional theoryMaximilien Levesque, Virginie Marry, Benjamin Rotenberg, et al.The Journal of Chemical Physics|April 9, 2021
Assessing the correctness of pressure correction to solvation theories in the study of electron transfer reactionsTzu-Yao Hsu, Guillaume JeanmairetJournal of Chemical Theory and Computation|November 18, 2025
Prediction of the Aqueous Redox Properties of Functionalized Quinones Using a New QM/MM Variational FormulationMaxime Labat, Guillaume Jeanmairet, Emmanuel GinerThe Journal of Chemical Physics|July 3, 2025
Ions at electrochemical interfaces: From explicit to implicit molecular solvent descriptionsSwetha Nair, Guillaume Jeanmairet, Benjamin RotenbergThe Journal of Chemical Physics|January 24, 2016
Quasi-degenerate perturbation theory using matrix product statesSandeep Sharma, Guillaume Jeanmairet, Ali AlaviThe Journal of Chemical Physics|February 3, 2017
Stochastic multi-reference perturbation theory with application to the linearized coupled cluster methodGuillaume Jeanmairet, Sandeep Sharma, Ali AlaviThe Journal of Chemical Physics|July 3, 2024
Coupling molecular density functional theory with converged selected configuration interaction methods to study excited states in aqueous solutionMaxime Labat, Emmanuel Giner, Guillaume JeanmairetThe Journal of Physical Chemistry. B|June 3, 2026
The Angular Localization Function (ALF): A Practical Tool to Measure Solvent Angular Order with Molecular Density Functional TheoryMaïwenn Souetre, Benjamin Rotenberg, Guillaume JeanmairetChemical Reviews|April 7, 2022
Microscopic Simulations of Electrochemical Double-Layer CapacitorsGuillaume Jeanmairet, Benjamin Rotenberg, Mathieu SalannePageof 8