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Postdoc in CEA, south of Paris: Implementation o ... (No replies)

amadon
2 months ago
amadon 2 months ago

A postdoctoral position is available at the CEA (French Alternative Energies and Atomic Energy Commission) in France. It is the result of a starting collaboration between the condensed matter physics group of the CEA-Paris Saclay University in Bruyères le Châtel (South of Paris) and the CEA/LITEN in Grenoble.

Job Description:

Density Functional Theory is a state of the art method for electronic structure calculations
in condensed matter physics. However, strongly correlated systems are often badly described by this method with the available functionals. The DFT+DMFT scheme combines DFT with Dynamical Mean Field Theory in order to improve their description. The aim of the project is to implement atomic forces in the DFT+DMFT formalism. Such implementation will open the way for relaxation of structures, calculation of phonons and molecular dynamics of strongly correlated systems such as e.g transition metals, or lanthanides. One of the goal of the project will be to unravel the link between electronic interactions and structural properties in such systems.

The study of the phonon spectra of iron under various thermodynamical conditions will be one of goal of this study in order to look for any precursor of phase transition. The other goal will be the study of the impact of electronic correlations on the vibrational properties of LixNiO2.

The postdoctoral position is for one year, and can be extended to two years. The position is available immediately but the starting date can be discussed. Applications will be taken into consideration until the position is filled.

Requirements:

(1) PhD in electronic structure calculations or related area.
(2) Experience with development or good programming skills is a plus.
(3) Good spoken and written English.
(4) Interest in methodology and good knowledge of condensed matter physics or theoretical chemistry.

We offer:

(1) Strong interaction with experts in the development in electronic structure calculations code and electronic correlation in Grenoble and Bruyères le Châtel.
(2) Strong interaction with the international ABINIT developers group.
(3) Easy participation to international conferences.
(4) Easy access to CEA supercomputers.
(5) Salary is starting from 2100 euros.

About the group:

The French Alternative Energies and Atomic Energy Commission (CEA https://www.cea.fr/english) is a public research institution involved in research, development and innovation in defense and security, low carbon energies (nuclear and renewable energies), technological research for industry, and fundamental research in the physical sciences and life sciences. Drawing on its widely acknowledged expertise, the CEA actively participates in collaborative projects with a large number of academic and industrial partners.

The condensed matter group of the CEA is a research group devoted to the study of matter using various theoretical and experimental approaches and is part of the “Matter under Extreme Conditions Laboratory” affiliated to the Paris-Saclay University (https://www.universite-paris-saclay.fr/en). The group hosts in particular several developers of the ABINIT electronic structure code and works in collaboration with the high performance computing center (http://www-hpc.cea.fr/en/complexe/tgcc.htm) also located in Bruyères le Châtel.
The CEA center in Bruyères le Châtel is located in a green area of the south of Paris.

CEA-LITEN is located in Grenoble, at the foot of the French Alps, and is a major European research institute dedicated to the development of the sustainable energy technologies of the future. The Laboratory of Performance and multi-scale Modeling at LITEN focuses on the modeling of batteries and fuel cells from atomistic to macroscopic scales, within a rich scientific environment involving collaborations with both academic and industrial partners.

How to apply:

To apply, send a CV, contact information for at least two reference persons and a letter to [email protected] and [email protected]. Interested candidates are welcome to contact us for further informations.




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