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Open Postdoc position in computational chemistry ... (No replies)

fingross
3 years ago
fingross 3 years ago

Multiscale methods for nanoconfined systems.

We are accepting applications for a postdoctoral appointment (1 year) in the Liquids, Interfaces, Solvation group of the Laboratoire de Physique et Chimie Théoriques in Nancy, France. Our Laboratory is affiliated with the University of Lorraine and with the National Center for Scientific Research (CNRS). Please note that the contract will start on December 1, 2021 and this date cannot be postponed.

Short description, goals

We are interested in unravelling the specific properties of systems under confinement, in the interlamellar region of clay-like materials. The physical and chemical properties of such systems are quite peculiar. How does confinement affect adsorption and reactivity? Are the usual molecular modeling techniques suitable to accurately describe them? We are confident that an improved understanding of the nanoconfinement effects in these systems can lead to an improvement in the application of these materials, especially in the field of depollution and catalysis. Part of this project is performed in collaboration with an experimental group at the LCPME (Nancy) and a theoretical group at the University of Murcia, Spain.

Requirements

Successful candidates must have a PhD in computational Chemistry/Physics and an expertise in molecular dynamics simulations and quantum chemistry calculations. A strong background in ab initio molecular dynamics, QM/MM is highly desired as well as previous experience in force field development. Familiarity with the LAMMPS code would be appreciated. Good knowledge of English, both written and oral, is compulsory.

Funding

We acknowledge funding from the FEDER program in the Grand Est region, France. The salary depends on previous experience and it is fixed according to the CNRS salary administration policy (starting from about 25k€/year, net salary). The position gives access to the French Social Security system.

Contact

Please follow the procedure for CNRS applications here.

Contact: [email protected]

About the site

Information about Nancy, the Lorraine region, the University of Lorraine.




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