The Nanostructure Physics Group of the Faculty of Science, University of Ostrava is interested in electronic structure theory, computational modeling of atomic-scale molecular complexes and nanomaterials. Besides the application of traditional methods (quantum chemistry, density functional theory), an important research direction is development and applications of alternative methods like, e.g., stochastic electronic structure methods (quantum Monte Carlo) and their use for accurate description of electronic structure or quantum motion of nuclei. The applications include molecules, clusters, solids, surfaces and nanomaterials, prediction of structural, electronic, optical and adsorption properties and interaction strength. To date, many demanding systems were studied successfully, including transition metals, their oxides, non-covalent interactions and physisorption, nuclear delocalisation effects of strongly quantum systems and excitonic effects in nanostructures.
