The research focuses on the understanding of the chemical reactivity of organic, organo-metallic, and bio-inorganic compounds, and of the biochemical processes.The aim is to describe the chemical process of interest's reaction mechanisms.Our main goal in the area of chemical reactivity is to elucidate the mechanisms found behind chemical reactions, by calculating their potential energy areas and conducting molecular dynamics studies.Our main subjects of interest are: • Organic chemistry.This sub-area includes classic organic-chemistry reactions, such as cycloadditions, reactions of radicals and fragmentations of biological molecules, as well as peptide and fullerene reactions.• Organometallic chemistry and catalysis.This sub-area includes the study of industry-related catalytic processes and the processes catalysed by biomimetic compounds.• Enzymatic catalysis and biochemical processes.This sub-area includes the study of reactions catalysed by enzymes and mechanisms relating to the cell function, using methods of molecular dynamics under Carr-Parrinello-type methods.