Missions

Applications are invited for a postdoctoral fellow in Dr Trond Saue's theoretical chemistry research group at the Laboratoire de Chimie et Physique Quantiques (LCPQ) UMR5626 in Toulouse (Université Paul Sabatier) [https://dirac.ups-tlse.fr/saue]. The main objective of this project will be to design and develop new approaches to quantum chemistry.

Activities

The mission is part of the HAMP-vQED project [https://dirac.ups-tlse.fr/hamp-vqed], funded by an ERC Advanced Grant. This project aims at very highly accurate calculations of molecular properties, and includes two research components: i) study of the effects of quantum electrodynamics (QED) in chemistry, and ii) method developments in relativistic coupled cluster. The postdoc's mission will be to contribute to the second part of the project, through method development and production calculations. The main project is the inclusion of orbital relaxation and the calculation of magnetic properties.

Skills

-The successful candidate will have progressed or completed a PhD in chemistry and/or physics. Interest and experience in theoretical and computational chemistry, physics and mathematics, as well as the ability to interpret and apply results in practical applications are essential. The candidate must be able to communicate in English (written / oral), knowledge of French is not mandatory. The contract will be for two years, with the possibility of extension. Programming skills (Fortran, C, C ++, MPI, Open MP, etc.) will be an asset, strong motivation mandatory.

Work Context

The Laboratoire de Chimie et Physique Quantiques (LCPQ) UMR5626 in Toulouse (Paul Sabatier University) is part of the IRSAMC Institute (physics) and is located on the campus of Paul Sabatier University. The LCPQ brings together more than 20 permanent researchers working in various fields of computational and theoretical chemistry.

Constraints and risks

N/A