| Semistochastic heat-bath configuration interaction method: Selected configuration interaction with semistochastic perturbation theory S Sharma, AA Holmes, G Jeanmairet, A Alavi, CJ Umrigar Journal of chemical theory and computation 13 (4), 1595-1604, 2017 | 306 | 2017 |
| Molecular density functional theory of water G Jeanmairet, M Levesque, R Vuilleumier, D Borgis The Journal of Physical Chemistry Letters 4 (4), 619-624, 2013 | 106 | 2013 |
| Tuning water reduction through controlled nanoconfinement within an organic liquid matrix N Dubouis, A Serva, R Berthin, G Jeanmairet, B Porcheron, E Salager, ... Nature Catalysis 3 (8), 656-663, 2020 | 104 | 2020 |
| Microscopic simulations of electrochemical double-layer capacitors G Jeanmairet, B Rotenberg, M Salanne Chemical reviews 122 (12), 10860-10898, 2022 | 101 | 2022 |
| 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 (11), 1935-1942, 2014 | 93 | 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 | 88 | 2015 |
| MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems A Marin-Laflèche, M Haefele, L Scalfi, A Coretti, T Dufils, G Jeanmairet, ... Journal of Open Source Software 5 (53), 2373, 2020 | 76 | 2020 |
| Extension of Marcus picture for electron transfer reactions with large solvation changes R Vuilleumier, KA Tay, G Jeanmairet, D Borgis, A Boutin Journal of the American Chemical Society 134 (4), 2067-2074, 2012 | 65 | 2012 |
| Simulating electrochemical systems by combining the finite field method with a constant potential electrode T Dufils, G Jeanmairet, B Rotenberg, M Sprik, M Salanne Physical Review Letters 123 (19), 195501, 2019 | 58 | 2019 |
| Capacitive performance of water-in-salt electrolytes in supercapacitors: A simulation study Z Li, G Jeanmairet, T Méndez-Morales, B Rotenberg, M Salanne The Journal of Physical Chemistry C 122 (42), 23917-23924, 2018 | 57 | 2018 |
| 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 | 55 | 2013 |
| Quasi-degenerate perturbation theory using matrix product states S Sharma, G Jeanmairet, A Alavi The Journal of chemical physics 144 (3), 2016 | 54 | 2016 |
| Stochastic multi-reference perturbation theory with application to linearized coupled cluster method G Jeanmairet, S Sharma, A Alavi J. Chem. Phys. 146, 044107, 2017 | 46 | 2017 |
| 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 | 40 | 2012 |
| 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 |
| Study of a water-graphene capacitor with molecular density functional theory G Jeanmairet, B Rotenberg, D Borgis, M Salanne The Journal of chemical physics 151 (12), 2019 | 38 | 2019 |
| Confinement effects on an electron transfer reaction in nanoporous carbon electrodes Z Li, G Jeanmairet, T Méndez-Morales, M Burbano, M Haefele, M Salanne The Journal of Physical Chemistry Letters 8 (9), 1925-1931, 2017 | 38 | 2017 |
| 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 | 37 | 2019 |
| 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 | 28 | 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 | 25 | 2020 |
Daniel BorgisDirecteur de Recherche au CNRSVerified email at ens.fr
