5th March 2021 : Post-doctoral position in theoretical soft-matter at the « Interdisciplinary Laboratory on Nanoscale and Supramolecular Organization », CEA-Saclay, France

The theoretical understanding of solvation properties of molecules/macromolecules/
interfaces in the domains of biology, colloidal physics, electrochemistry
and material sciences requires an explicit molecular solvent level of description
with atom-atom classical force-fields. Beside the standard and time-consuming
numerical simulation, we have developed recently a powerful liquid physics
theory based on 3D classical density functional theory. Up to now, it is solved
within the HNC approximation which neglects the so-called "bridge" correlation
functions. The project consists in developing the theory beyond this standard
approximation by constructing various bridge functionals or functions which
extend simple spherical liquid approaches to molecular solvents
and solutes governed by highly anisotropic interactions and correlations.
The new theory will be implemented in the existing MDFT code and its
results compared to molecular simulations performed in parallel.
From: Luc Belloni luc.belloni@cea.fr