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Research


At the Center for Theoretical Chemistry of the University of Bochum (Director: Professor Dominik Marx) there are several scientifically active research groups. All groups share a common interest and quest to understand "molecular systems within the framework of quantum mechanics" and cover altogether a wide spectrum in theoretical chemistry, which reaches into the realms of theoretical biology and theoretical physics. Specific research areas are dynamical ab initio simulations of complex many-body systems at finite temperatures (Marx), the development of response methods, photochemistry and optical properties (Hättig), biomolecular simulations on large time- and length-scales (Schäfer) and the development of neuronal network methods for the heterogenous catalysis (Behler) as well as the development and applications of density matrix renormalization group theory for complex molecular systems (Römelt).
Furthermore, two Emeriti remain scientifically active in two areas, one area is highly accurate methods for small molecules, the emphasis here is on electron correlation and relativity (Kutzelnigg) and the other is spectroscopy and surface science, with emphasis on excited electronic states, magnetic exchange coupling and periodic systems (Staemmler).


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