Directeur de Recherche CNRS
Laboratoire PASTEUR, UMR CNRS 8640
ENS, Département de Chimie
24 rue Lhomond, 75005 Paris
Email: daniel.borgis@ens.fr
Phone: +33 144323341
website: https://scholar.google.com/citations?hl=fr&user=kBjtGmUAAAAJ
Professional experience
- CNRS Directeur de Recherche at PASTEUR (2008-).
- Director of CECAM-FR-MOSER (2014-2018).
- Chargé de Mission « Theoretical Chemistry » and « Computation-Data » at the Chemistry Institut of CNRS (2014-2018).
- Member of the CNRS National Committee (Section 13 : Theoretical, physical, and analytical chemistry) (2008-2012).
Research interests
- 1983-1987 : Theory of non-linear chemical reactions far from equilibrium.
- 1987- : Proton transfer in solution : Theory and mixed quantum/classical molecular Structure and dynamics of the hydrated electron and the hydrated proton. Spectroscopy in liquids.
- 1999-2010: Coarse-grained solvent and protein models for biomolecular
- 1999- : Molecular Density Functional Theory of solvation: Development and application to chemistry, interfaces, and biological systems.
Selected recent publications
- L. Zhao, R. Ramirez, R. Vuilleumier, and D. Borgis, « Molecular density functional theory of solvation : From polar solvents to water», J. Chem. Phys. 134 194102 (2011).
- Borgis, L. Belloni, and M. Levesque, « What Does Second-Harmonic Scattering Measure in Diluted Electrolytes ?», J. Phys. Chem. Lett. 9, 3698 (2018).
- Luukkonen, M. Levesque, Luc Belloni, and D. Borgis, «Hydration free energies and solvation structures with molecular density functional theory in the hypernetted chain approximation« , J. Chem. Phys. 152, 64110 (2020).
- Borgis, S. Luukkonen, L. Belloni, and G. Jeanmairet, « Simple parameter-free bridge functionals for molecular density functional theory. Application to hydrophobic solvation« , J. Phys. Chem. B 124, 6885 (2020).
- Borgis, S. Luukkonen, L. Belloni, and G. Jeanmairet, « Accurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functional», J. Chem. Phys. 155, 024117 (2021).
- Jeanmairet, M. Levesque, and D. Borgis, « Tackling solvent effect by coupling electronic and molecular density functional theory», J. Chem. Theory. Comp. 16, 7123 (2020).