Postdoctoral Research Scientist in Theoretical Chemistry and Molecular Physics at IFF-CSIC (AbinitSim Unit)

A postdoctoral research scientist position is available. The postdoctoral researcher is expected to work in the project «Confined Molecular Systems: The New Generation of Materials» (, 2021-2025), dealing with quantum chemistry, molecular dynamics simulations and machine learning algorithms to investigate, at the most fundamental level, the special properties of the smallest metal clusters as well as their integration into materials interacting with the environment to boost their performance in applications (e.g., energy conversion and photocatalysis). Numerical (quantum and classical) simulations of helium droplet-mediated surface deposition processes are also included.

The candidate should have a strong background in quantum chemistry, molecular physics and python programming. Relevant areas of expertise might include application of machine learning methods to materials or molecular dynamics to intermolecular interactions.

The position will be opened until finding a suitable candidate.

Interested candidates should contact María Pilar de Lara-Castells (, sending a CV including research interests and 2-3 reference letters.

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