University of Strasbourg
2 weeks ago
Post-Doctoral Position in Molecular Modelling University of Strasbourg in France
Degree Level
Postdoc
Field of study
Computer Science
Funding
Available
Deadline
Oct 11, 2026
Country
France
University
University of Strasbourg
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About this position
Post-Doctoral Position in Molecular Modelling at the University of Strasbourg
The University of Strasbourg is recruiting a postdoctoral researcher for a full-time temporary position in molecular modelling within the Laboratory of Complex Matter Chemistry (UMR 7140 CNRS / University of Strasbourg), in the Molecular Modeling and Simulation group led by Dr. Alain Chaumont.
The project focuses on the development and characterization of new “pseudo-bare” metal species, specifically Sc3+ and Y3+, stabilized only by weakly coordinating carborate anions. These highly electrophilic cations are expected to behave as exceptionally strong Lewis acids and may open routes to the activation of otherwise poorly reactive substrates. The work combines classical molecular dynamics (cMD), DFT calculations, quantum-classical molecular dynamics (QCMD), and experimental collaboration to understand stability, solvation, structure, and reactivity in solution.
Key research tasks include developing and validating force-field models for M3+/WCA systems, simulating solvation and dissociation of M[HexCB11Cl11]3 species, characterizing Lewis acidity and electrophilicity, and modelling the coordination and activation of small molecules such as CO, CO2, H2, alkenes, alkynes, and imines. The position also involves investigating catalytic pathways in hydrosilylation and hydrogenation and contributing to the development of a QCMD approach.
The successful candidate will work closely with experimental partners, participate in consortium meetings and interdisciplinary discussions, and help prepare scientific publications and conference presentations. The role is highly suited to a researcher with strong computational chemistry skills, experience in molecular dynamics and AMBER, and a keen interest in coordination chemistry, reactivity, and catalysis.
Eligibility highlights include a PhD or equivalent in molecular chemistry or a related area, demonstrated experience in classical molecular dynamics, proficiency with UNIX/Linux, and the ability to work independently and collaboratively in an international research environment. Strong analytical thinking, curiosity, and excellent communication skills are emphasized.
The position is based in Strasbourg, France. The application deadline is 11 October 2026 at 23:59 (Europe/Paris), with a planned start date of 1 November 2026.
Funding details
Available
What's required
PhD or equivalent in chemistry or a closely related field is required. Candidates should have a strong background in computational chemistry, experience with classical molecular dynamics simulations, familiarity with the AMBER software suite, and knowledge of or experience with trivalent cation simulations and Lennard-Jones 4-6-12 type force fields. Applicants should be able to set up, run, and analyze molecular dynamics simulations, work in UNIX/Linux environments, and contribute effectively both independently and in a collaborative interdisciplinary team. Strong analytical skills, scientific curiosity, problem-solving ability, team spirit, good communication skills, and experience with workflow automation and simulation data analysis are expected.
How to apply
Apply through the University of Strasbourg recruitment website using the provided online application page. Consult the attached French and English position description documents for the required materials before submitting. Submit your application before 2026-10-11 23:59 (Europe/Paris).
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