Our research activity consists in the ab initio modeling (based on the density functional density (DFT), Nobel Prize in Chemistry 1998) of materials in order to study their physical properties, and involves:

• Materials for the energy: towards an ab initio description of thermoelectricity
• Materials design to enhance mechanical property
• Plasmonics on the quantum level

The interaction of our team with its environment is threefold:

• economical, through our relationship with engineers of a company;
• cultural, by developing history of materials science, and biographies of past researchers ;
• social, through our involvement in the promotion of scientific careers among young people.

Link to the manuscrits :  habilitation à diriger les recherches (HDR), PhD

Nathalie VAST PhD supervisor	Jelena SJAKSTE Researcher	Olivier HARDOUIN DUPARC PhD supervisor	Romuald BEJAUD Post-doctoral researcher
	Mariya ROMANOVA PhD student	Amrita CHAKRABORTI PhD student (co-management with IMPMC)

In 2013 we had the great honour to host:

Stefano Baroni, Valery Tyuterev, Fouzia Boukabrine, Sergey Obukhov