Daniel Borgis

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).