A two-year a post-doctoral position is available at CEA, on the Paris-Saclay University campus, in the field of classical DFT, a sister theory of electronic DFT in statistical mechanics.

Short description and objectives: The theoretical understanding of solvation properties of molecules, macromolecules, or interfaces in the domains of biology, electrochemistry, material sciences requires an explicit molecular solvent level of description using atomic classical force-fields. Beside the standard and time-consuming numerical simulations, the group has developed a powerful liquid physics theory based on 3D classical, molecular DFT. Up to now, it is solved within the so-called HNC approximation which neglects three-body correlation functions. The project consists in developing the theory beyond this standard approximation by constructing various improved functionals which extend simple-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.

Requirements: Successful candidates must have a PhD in theoretical and/or computational chemistry or physics. A solid background in statistical mechanics and skills for analytical developments and computer programming are bonuses. 

Funding: The position is funded by the Agence National de la Recherche Under the project ’BRIDGE’, gathering researchers at Paris-Saclay, École Normale Supérieure de Paris, and Sorbonne Université. The salary depends on previous experience and it is fixed according with the CEA salary administration policy (starting from about 28000kE/year, net salary). The position gives access to the French Social Security system.

Contact: A preliminary contact by email with a CV is requested ([email protected] and [email protected]). Further details about the application procedure and about the project will be given in response.