Institutions
The nanomat group is associated to:
- the European Theoretical Spectroscopy Facility, a European research network on the development of theory and software for electronic excited states
- the European Multifunctional Materials Institute, an international association of universities and industries active in R&D on novel materials (oxides, polymers, sol-gel processes, thermoelectrics…)
- the French Groupe de Recherche coDFT
- the Euspec and Xlic COST networks
Partner groups
Active collaborations are in place with many groups. The most important are the following:
- The NAPS group in Louvain-la-Neuve: development of the ABINIT DFT package and applications to many different types of systems.
- Georg Madsen, creator of the BoltzTrap code, now at the Technical University of Vienna
- Professor Angel Rubio at the Max Planck Institute in Hamburg, and the nano-bio group in EHU/UPV San Sebastian, Spain: development of the octopus TDDFT package, model systems and attosecond dynamics in time dependent quantum systems.
- Prof Aldo Romero at the University of West Virginia: high throughput methods, thermal properties, magnetic properties
- Dr Olle Hellman at the University of Linkoping, Sweden, and Caltech, Pasadena (CA): anharmonic phonons, electron phonon coupling, thermal and electrical transport
- Razvan Caracas in ENS Lyon, France: phonons and transport in geologically important phases, in particular those of the lower mantle of the Earth.
- Raphael Hermann now at Oak Ridge National labs: Fe-Sb alloys and thermoelectric properties.
- Marc Torrent at Commissariat a l’Energie Atomique in Bruyeres-le-Chatel, France: development of ABINIT and perturbation theory in particular. Spin-orbit effects and heavy metals.
- Pascal Boulet in University of Aix-Marseille I (France) – thermoelectric materials, simulations on light elements.
- Françoise Remacle in the Department of Chemistry at the University of Liège:
attosecond dynamics and links between quantum chemistry and density functional theory.