Postdoctoral researcher (M/F) in theoretical chemistry focused on method development

Cnrs Inc; France; Vor Ort; EUR 38.000 - 46.000; Vollzeit

Zusammenfassung

CNRS – Institut des sciences chimiques de Rennes invites applications for a postdoctoral researcher position in theoretical chemistry. The project focuses on relativistic DFT for excited states and f-element complexes within the ERC BRUNCH program, leveraging Python tools and open resources.

The successful candidate will develop new formalisms, implement methods in Python, and contribute to publications and conferences.

Qualifikationen

• 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.

Aufgaben

• Analytical development of new formalisms in relativistic quantum chemistry.
• Implementation in an open-source/open-access development platform (Python).
• Application to model systems.
• Supervision of students on research internships.
• Communication and dissemination of results (publications and conferences).

Kenntnisse

Electronic structure theory

Python

Unix/Linux

Scientific English

Ausbildung

PhD in theoretical chemistry or theoretical physics

Tools

Python

Unix/Linux

Jobbeschreibung

Organisation/Company CNRS Department Institut des sciences chimiques de Rennes Research Field Chemistry Chemistry » Computational chemistry Researcher Profile First Stage Researcher (R1) Application Deadline 26 Nov 2026 - 23:59 (UTC) Country France Type of Contract Temporary Job Status Full-time Hours Per Week 35 Offer Starting Date 1 Feb 2027 Is the job funded through the EU Research Framework Programme? Horizon Europe - ERC Is the Job related to staff position within a Research Infrastructure? No

Offer Description

The postdoctoral research fellow will explore the potential of relativistic DFT for excited-state calculations based on orbital-optimised methodologies (i.e., ∆SCF-like) to study f-element-based complexes.

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 an open-source/open-access development platform (Python)
• Application to model systems
• Supervision of students on research internships
• Communication and dissemination of results (publications and conferences)

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.

• 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