Opening of a PhD position in Strasbourg, France

Opening of a PhD position in Strasbourg, France (starting October 1st, 2023)

Topic : Developing quantum embedding computing for Quantum Chemistry

Announcement:

A PhD position in Quantum Chemistry, under the supervision of E. Fromager (University of Strasbourg) and B. Senjean (Institut Charles Gerhardt Montpellier), is now open in the Laboratoire de Chimie Quantique de Strasbourg, University of Strasbourg, France. 
The selected candidate is expected to start on October 1st, 2023. The project, which is funded by the QuantEdu-France program, in connection with the ITI QMAT (Unistra), deals with the development of quantum embedding theories for strongly correlated electrons and their implementation on quantum devices. 

More precisely, the goal of the PhD project is twofold. On the one hand, we want to extend the recently proposed local potential functional embedding theory (LPFET) [1-3], which is an in-principle-exact density-functional flavour of density matrix embedding theory (DMET) [4] for the infinite Hubbard model, to the ab-initio calculation of ground and excited electronic states in strongly correlated molecular systems. On the other hand, we want to exploit a recent quantum implementation of density-functional theory [5] in the context of LPFET in order to ultimately use quantum devices for both solving the correlated embedded fragment problem and solving the reference full-system Kohn-Sham simuations.

Applicants should send a detailed CV (with references) and a letter of motivation to E.
Fromager (fromagere@unistra.fr) and B. Senjean (bruno.senjean@umontpellier.fr). Applicants who have been selected for an interview will be notified by email.   
 
Keywords: Electronic structure theory, Quantum chemistry, Quantum embedding theory, Quantum computing, Methods development, Formal derivations and programming. 

Contacts: E. Fromager (fromagere@unistra.fr) and B. Senjean (bruno.senjean@umontpellier.fr)

References
[1] S. Sekaran, M. Saubanère, and E. Fromager, Computation 2022, 10, 45.
[2] S. Yalouz, S. Sekaran, E. Fromager, and M. Saubanère, J. Chem. Phys. 157, 214112 (2022).
[3] S. Sekaran, M. Tsuchiizu, M. Saubanère, and E. Fromager, Phys. Rev. B 104, 035121 (2021).
[4] G. Knizia and G. K.-L. Chan, Phys. Rev. Lett. 109, 186404 (2012).
[5] B. Senjean, S. Yalouz, M. Saubanère, arXiv:2204.01443