THEORETICAL CONDENSED MATTER PHYSICS AND NANOSCIENCES :
Main scientific interests : computer modeling of the properties of various materials using ab initio techniques (DFT - density functional theory formalism) and tight-binding methods. Understanding microscopic growth mechanisms of carbon-based nanostructures at the atomic level using Car-Parrinello quantum molecular dynamics. Theoretical predictions of structural, electronic, dynamical, optical, magnetic properties and quantum transport in carbon-based nanostructures (fullerenes, carbon nanotubes, graphene, carbynes, ...).
