Pawel M. Kozlowski

Professor of chemistry, Physical Chemistry: Computational Chemistry


The Kozlowski Group is mainly concerned with the application of quantum mechanical principles to problems in molecular structure, dynamics and spectroscopy and with work on quantum-mechanical methods to improve their reliability and physical credibility.  The general aim is to obtain a correct quantitative description for important physical and chemical properties of molecules.  Our research interest is focused on the application of computational chemistry to solve problems of a bioinorganic nature.  Our current projects exploit the capability of modern computational chemistry using density functional theory (DFT); hybrid methods based on DFT and molecular mechanics (MM).  We are currently researching the electronic function of Cobalamine (B12) and pi-cation radicals of porphyrin systems.  We are also in close collaboration with the University of Louisville's James Graham Brown Cancer Center in the investigation of the structure and biological function of the chemotherapeutic agent bleomycin