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Mariusz Klobukowski is a Professor in the Faculty of Science at the University of Alberta, specializing in Chemistry. He has obtained his BSc and PhD from N. Copernicus University in Poland. His research primarily focuses on the development and application of methods for accurate computational studies of electronic structure, geometry, vibrational spectra, and reaction mechanisms of organometallic molecules, molecular ions, and molecular clusters in both their ground and excited electronic states. Klobukowski is particularly interested in small and large molecular systems, employing all-electron techniques for small systems while utilizing pseudopotential methods for larger molecular systems that include heavy atoms. His work includes the development of basis sets for all-electron relativistic calculations of molecules containing heavy and trans-uranium atoms, as well as studies on the interactions of metal ions within molecular structures. His research also emphasizes the modeling of novel anti-cancer drugs using a hybrid QM/MM approach, combining quantum mechanical and molecular mechanics methodologies.
Department: Mechanical Engineering and Engineering Management