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Postdoc position: development of atomic forces i ... (No replies)

2 months ago
amadon 2 months ago

A postdoc position is available in the condensed matter physics group of the CEA (French Alternative Energies and Atomic Energy Commission) in Bruyères le Châtel, South of Paris. The condensed matter group is 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. The position is the result of a starting collaboration with CEA/LITEN in Grenoble.

The aim of the project is to implement atomic forces in the DFT+DMFT formalism. DFT+DMFT has been successful to describe strongly correlated systems, however, atomic forces are not computed in most of the available codes. Such implementation should open the way for relaxation of structures, calculation of phonons and molecular dynamics in DFT+DMFT. Application to phonon calculation is expected within the time of the project. The project will be carried out within the ABINIT implementation of DFT+DMFT.

As the position involves code development, prior experience with development is a prerequisite. Experience with development in an electronic structure code would be most useful. Experience with DMFT or many body physics would be advantageous but is not a prerequisite.

The posdoctoral 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.

The CEA center in Bruyères le Châtel is located in a green area of the south of Paris and well connected to Paris with dedicated buses. The work will imply some travel to the CEA center in Grenoble.

To apply, send a CV, contact information for at least two reference persons and a letter to [email protected] and [email protected]

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