Missions

The postdoctoral research fellow will carry out the development of theoretical and methodological formalisms in relativistic quantum chemistry, as well as their implementation (Python).

Activities

The position is within the BRUNCH project (ERC), which aims to develop a new theoretical and methodological toolbox in relativistic quantum chemistry for innovative computational approaches to magnetic properties. The activities are:
- Analytical development of new formalisms in relativistic quantum chemistry
- Implementation in the open-source/open-access PySCF platform (Python)
- Application to model systems
- Supervision of students on research internships
- Communication and dissemination of results (publications and conferences)

Skills

- PhD in theoretical chemistry or theoretical physics, with experience in methodological developments is a plus.
- Solid knowledge in electronic structure theory (Density Functional Theory, Wave Function Theory) is expected.
- Solid experience with the Python programming language and Unix/Linux environment
- Good command of scientific English, both written and spoken

Work Context

The Rennes Institute of Chemical Sciences (ISCR - UMR6226) is a joint research unit bringing together the CNRS, the University of Rennes, the Rennes National School of Chemistry (ENSCR) and the Rennes National Institute of Applied Sciences (INSA Rennes). This Institute is the result of the consolidation of all academic forces in chemistry at the Rennes site. It brings together more than 280 permanent staff with a total workforce of more than 500 people divided into 8 teams.
The postdoctoral researcher will work in the Theoretical Inorganic Chemistry (CTI) team at the Institute of Chemical Sciences of Rennes (ISCR). This team brings together theoretical chemists (15 permanent members, approximately 15 students) with complementary skills, working with a wide range of quantum chemistry tools, from wave function-based methods to semi-empirical approaches. CTI members are interested in various systems such as isolated molecules, bulk materials and surfaces. The CTI team provides a stimulating scientific environment with team meetings and regular visits from internationally renowned guest speakers. Considerable computing resources are available both locally and at national computing centres for the conduct of our scientific projects.
This postdoctoral position is part of the ERC BRUNCH project, offering attractive working conditions and visibility.

The position is located in a sector under the protection of scientific and technical potential (PPST), and therefore requires, in accordance with the regulations, that your arrival is authorized by the competent authority of the MESR.