Two-year post-doc position in Quantum Chemistry in Strasbourg

A two-year post-doc position is now open in the team «Laboratoire de Chimie Quantique» within the
Institute of Chemistry in Strasbourg (UMR7177). The starting date is expected to be October 1st, 2024.

The project deals with theoretical and methodological developments in density functional
theory (DFT) beyond the Born—Oppenheimer approximation, along the lines of a recent work [E. Fromager and
B. Lasorne, 2024 Electron. Struct. 6 025002, Preprint: arXiv:2312.15080] where both electronic and
nuclear densities are mapped, in principle exactly, onto a fictitious Kohn—Sham molecule where electrons
still interact with the nuclei but not among themselves anymore. The goal of the project is to implement
and apply the theory to model systems, to develop its extension to the time-dependent regime and apply it
to simulate non-adiabatic nuclear dynamics. Ultimately, we would like to design rigorous mixed
quantum-classical practical approaches by combining the theory with the exact factorisation formalism.

Expertise in the implementation of novel electronic structure theories and/or quantum theories of nuclei
in molecules, and their application to model systems, will be highly appreciated.

The selected candidate will do her/his research in Strasbourg, under the supervision of E. Fromager
(Strasbourg) and B. Lasorne (ICGM, Montpellier).   

Funding is provided by the University of Strasbourg Institute for Advanced Study (USIAS) of which E.
Fromager is a fellow for the project period (2024-2026)[https://www.usias.fr/en/news-events/news/single-news>
[www.usias.fr]]

Applicants should send a detailed CV (including names and emails of recommenders) and their complete list
of publications to E. Fromager (fromagere@unistra.fr) and B. Lasorne (Benjamin.Lasorne@umontpellier.fr)
before June 21st, 2024. Applicants selected for an online interview will be notified by email.