Exploring the characteristics of complex molecules: Dr. Michael Roemelt is the new group leader in the Theory Department

Complex molecular systems play a key role in many areas of physics and chemistry. They serve a multitude of purposes in various applications such as homogeneous inorganic and bioinorganic catalysts or modern materials. Understanding the physical and chemical properties is the first step on the way to new and improved catalysts and materials.

The focus of our research group lies in the development and application of novel quantum methods to investigate complex molecular systems on the level of quantum theory. Our methods are mostly based on the “Density Matrix Renormalization Group” which has found its way into the field of quantum chemistry in the last decade. It allows for accurate “first principles” calculations on large molecules that are out of reach for comparable standard quantum chemical methods. The focus of our applied studies are the unique electronic properties of polynuclear transition metal clusters and excited states of large organic compounds.

The research group is affiliated to the Max-Planck Institut für Kohlenforschung in Muelheim an der Ruhr and is located at the Ruhr-University Bochum. It is funded by the Max Planck society in the framework of the “Otto-Hahn Award” program.

Please find more information on the website of the group.