PhD in Quantum Computing for electronic structure and quantum molecular dynamics calculations at the University of Montpellier, France

A three-year (2023-2026) PhD position in theoretical molecular physics and chemistry in the context of quantum computing is open at the University of Montpellier, France.

The selected candidate is expected to start on October 1st, 2023.

The candidate will be working at the Physics department of LUPM (Laboratoire Univers et Particules of Montpellier), in close collaboration with the Theoretical Chemistry department of ICGM (Institute Charles Gerhardt of Montpellier). This project, funded by the Institute for Quantum Technologies in Occitanie (, deals with the development of new approaches to Quantum Computing algorithms able to describe both the electronic structure and the vibrational dynamics of molecules [1-6], in particular for the production of accurate spectroscopic and/or dynamical properties. Applications based on relevant model Hamiltonians will be further generalized to real molecules of interest in molecular astrophysics, for which the electronic and/or nuclear description remains non-trivial with standard methods and potentially exhibits significant non-adiabatic effects (beyond the Born-Oppenheimer approximation).

Applicants should send a detailed CV (with references) and a letter of motivation to:

Y.Scribano (,

B.Senjean (,

B.Lasorne (

Keywords: Electronic structure theory, Vibrational dynamics, Quantum computing, Method development, Programming.


[1] Y. Cao Y. et al., Chem. Rev. 119 (2019) 10856

[2] I. O. Sokolov et al., Phys. Rev. Research 3 (2021) 013125

[3] P. J. Ollitrault et al., Chem. Sci. 11 (2020) 6842

[4] P. J. Ollitrault et al., Acc. Chem. Res. 54 (2021) 4229

[5] N. P. D. Sawaya et al., Phys. Rev. A 104 (2021) 062419

[6] T. Bian and S. Kais, J. Chem. Phys. 154 (2021) 194107