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Postdoctoral position in computational physics Sorbonne Université, Paris, France

A short-term postdoctoral position is available starting as early as possible and until end of June 2023. The candidate will be directly supervised by Fabio Pietrucci at the Institute of Mineralogy, Physics of Materials and Cosmochemistry (IMPMC), an internationally recognized multidisciplinary laboratory of Sorbonne Université. The position is offered in the framework of the ANR project "2-D pressure nanoengineering beyond straintronics" (2D-PRESTO), directed by Alfonso San Miguel, Institut Lumière Matière, Université Lyon 1.

The successful candidate must hold a PhD in Physics/Chemistry/Materials Science or related disciplines with a strong background in condensed matter physics, physical chemistry and statistical mechanics. An expertise in molecular dynamics simulations is required, together with computer programming skills. Previous experience in enhanced sampling simulations and ab initio simulations is highly desirable. The candidate must have excellent writing and communication skills and must be able to collaborate effectively in a dynamic team including scientists with different backgrounds, specialized in theory or in experiments: the 2D-PRESTO consortium is composed by about 20 researchers at three institutions in France.

The candidate will perform molecular dynamics simulations of multi-layer graphene in presence of reactive high-pressure media, using both ab initio forces and classical force fields. The aim is to discover transformation pathways modifying the chemical bond network and leading to new materials for advanced applications, experimentally characterized by collaborators. To accelerate the barrier-crossing processes metadynamics will be employed, exploiting methods developed in the host group, including path coordinates based on a permutation-invariant topological metric. The candidate will present the computational results at regular meetings with the experimental partners, that employ chemical vapour deposition, diamond anvil cells, Raman spectroscopy, microscopy etc., with whom the research program will be coordinated.

The gross salary starts at about 2500€/month, depending on the work experience of the candidate after the PhD.

Applicants should send a motivation letter and a detailed CV (indicating also two scientists that could be contacted to ask reference letters) to: fabio.pietrucci@sorbonne-universite.fr. The position will be filled as early as possible.