The VASP workshop deals with density functional (DFT) calculations using the Vienna Ab-initio Simulation Package. VASP is one of the most popular electronic structure codes performing ab-initio quantum-mechanical calculations such as molecular dynamics (MD) using pseudopotentials and a plane wave basis set. The workshop is a unique opportunity to learn the use, power and limitations of the package with the tutoring of the authors and developers of the code. The activities will be aimed at graduate students and researchers from industry and academia. The only pre-requisite is a basic knowledge of solid state physics and chemistry. Discipline scientifique :
Chimie théorique et/ou physique - Science des matériaux