PhD position in Nonadiabatic Molecular Dynamics at Sorbonne University, Paris, France

We have a PhD position available at Sorbonne University in Paris (France) under the joint supervision of Federica Agostini (Laboratoire de Chimie Théorique) and Simon Huppert (Institut de NanoSciences de Paris).

The project focuses on the study of excited state intramolecular proton transfer in small organic molecules manifesting dual fluorescence. The aim of the project is twofold: to develop theory and algorithms based on the exact factorization of the electron-nuclear wavefunction [Phys. Chem. Chem. Phys. 26, 26693(2024)] to capture nonadiabatic and nuclear quantum effects; to develop full-dimensional Hamiltonians based on ab initio calculations, which can be employed to perform quantum dynamics simulations based on matrix product states [J. Phys. Chem. Lett. 16, 2514 (2025).].

We are looking for candidates with background in theoretical chemistry or physics, possibly with some experience in quantum chemistry.

The interested candidates are invited to contact as soon as possible Federica Agostini (federica.agostini@sorbonne-universite.fr & agostini.work@gmail.com) and Simon Huppert (huppert@insp.jussieu.fr) with a motivation letter as well as the bachelor and master academic transcripts.

We are accepting applications starting now until the position is filled. The starting date will be October 2026.