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Post Doctoral Position in collaboration between CEA Grenoble and ICG Montpellier

par Nord & Ile de France - 30 mai 2019

A Post-doctoral position of two years (one year renewable upon mutual agreement) is available at the Atomistic Simulation Laboratory (L_Sim) in the Fundamental Research Division of CEA Grenoble,in collaboration with the Theoretical and Physical Chemistry Department of the Charles Gerhardt Institut in Montpellier (ICGM), France. The position is based in L_Sim lab in Grenoble, with regular interactions/visits to ICGM.

The topic of the collaboration concerns the theoretical investigation of materials for energy storage. The position is funded by the French National ANCRE call ( via the project MACMA. The two partners have strong connections with the French Network for Electrochemical energy storage ( and the European Center of Excellence for Materials MaX (

The focus of the work is the implementation and validation of a computational approach able to tackle some of the known failures of established Density Functional Theory calculations in describing accurately the electronic structure of materials of interest in Energy Storage community. Such an approach, which has been validated on simple Lattice Network models, will be implemented on top of the BigDFT density functional theory code (, which is able to treat efficienty and accurately extended systems at the DFT level within a flexible approach based on localized and minimal basis functions.

The candidate should have a background in computational material science and/or chemical physics. He/she should be acquainted with Python scripting and high-performance calculations on modern supercomputers.

The position is available immediately until a suitable candidate is identified. Applicants should send their CV and application letters, including name and addresses for contact persons for recommendation to and