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Institut de minéralogie, de physique des matériaux et de cosmochimie

Quantum theory of matter

We lead cutting-edge research in the development of a large variety of first principles electronic structure methods, including quantum Monte Carlo, density functional theory, many-body perturbation theory, and dynamical mean field theory, as well as semi-empirical methods based on ligand-field multiplet theory. We also aim to extend the theoretical and computational formalisms to couple the lattice and ionic motion with the electronic degrees of freedom, in particular, in the context of non-harmonic phonons and of molecular dynamics with quantum nuclei. We develop theories and codes dedicated to electron and photon spectroscopies in the infrared, UV-visible and X-ray ranges. The applications include minerals, gemstones and functional materials exhibiting properties such as magnetism, superconductivity and thermoelectricity.



  • thermal transport
  • superconductivity
  • strongly correlated materials
  • electron-phonon coupling
  • spectroscopy


Marie-Anne Arrio (Researcher CNRS)

Christian Brouder (Team leader, Researcher CNRS)

Delphine Cabaret (Professor UPMC)

Michele Casula (Researcher CNRS)

Maria Hellgren (Researcher CNRS)

Lorenzo Paulatto (Research Engineer CNRS)

Guillaume Radtke (Researcher CNRS)


Non permanent

Nadir Bizi (PhD student)

Tommaso Gorni (Post-doc)

Felix Mouhat (PhD student)

Guilherme Ribeiro (PhD student)

Ornella Vaccarelli (PhD student)


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