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Postdoctoral position in computational physics a ... (No replies)

fabiopietrucci
3 years ago
fabiopietrucci 3 years ago

A postdoctoral position (18 months) is available starting from the second half of 2021. 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 two-dimensional materials (graphene, h-BN, transition metal dichalcogenides, etc.) in presence of inert or reactive high-pressure fluids, 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, that will be characterized in a second step. To accelerate the barrier-crossing processes at moderate conditions, metadynamics and other enhanced sampling techniques will be also applied, 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 ranges between 2514 and 3468 €/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: [email protected]

The deadline for application is June 28, 2021. The best candidates will be selected for an oral interview.




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Ab initio (from electronic structure) calculation of complex processes in materials