Electronic structure of condensed matter

The research group is engaged in theoretical studies of electronic structure and selected physical properties of complex, ordered and disordered polyatomic systems, using ab initio methods. In particular, in cooperation with many experimental groups, we conduct research on new materials for energy conversion (thermoelectrics, magnetocalorics and ionic batteries). Another important area of ​​our interest is the study of crystal lattice vibrations, electron-phonon interactions and superconductivity. We develop and implement numerical methods enabling first principles calculations of electronic and phonon transport properties and spin-orbit interactions.