Head: Prof. Dr. Adam Kiejna, email: kiejna[at]


Our current research is primarily concerned with the microscopic theoretical description of the electronic and geometric structure, and properties of material (metal, oxide) systems, in particular surfaces, interfaces, and atomic clusters, by performing first principles density functional theory calculations. We apply atomistic simulation techniques, such as standard Monte Carlo and kinetic (time dependent) Monte Carlo methods to study diffusion and self-assembly of metallic adatoms on metal surfaces.