The Atomistic Simulation group

The Atomistic Simulation group supervised by prof. Rafal Abdank-Kozubski presents a wide experience in the field of atomic-scale modeling of atomic-migration-controlled processes in bulk and nanostructured intermetallics by means of "ab initio" calculation and SGCMC, KMC and MD simulations. The research output of the group covers over 100 publications in high-impact journals (Progress in Materials Science, Physical Review B, Acta Materialia, Physical Chemistry Chemical Physics etc.).
Current interest of the group is focused on the development of Molecular Dynamics algorithms towards the direct simulation of vacancy-mediated atomic migration.
The researches are carried out in a wide domestic and international collaboration with European and Australian institutions.