Dr. Michael von Domaros has been honored with the Geheimrat Dr. ter-Meer-Preis 2019 of the Universitätsgesellschaft Bonn for his Ph.D thesis in the group of Prof. Barbara Kirchner.

Press release from the University of Bonn

Stairway to Sustainability - Research on recycling of industrial waste: A new video from the The European Training Network SOCRATES, in which Prof.  Barbara Kirchner and Dr. Oldamur Hollóczki are involved, is online.

Prof. Sigrid Peyerimhoff established an endowment fund for the promotion of young scientists from the Department of Chemistry of the University of Bonn. There are two prizes awarded each year:

  1. Sigrid Peyerimhoff Promotion Award with a prize-money of 2000 € for an outstanding master's thesis in Chemistry.
  2. Sigrid Peyerimhoff Research Award with a prize-money of 3000 € for an outstanding publication in the field of Physical and Theoretical Chemistry.

Further information can be found in the press release of the University of Bonn.

Dr. Christoph Bannwarth, a former PhD student of Prof. Stefan Grimme, will be honored with the CIC Advancement Award for Computational Chemistry 2019.

The article Strong Microheterogeneity in Novel Deep Eutectic Solvents by Vahideh Alizadeh, David Geller, Dr. Friedrich Malberg, Dr. Pablo B. Sánchez, Prof. Agilio Padua, and Prof.  Barbara Kirchner has been selected as Cover Feature of Issue 14/2019 of ChemPhysChem.

Prof. Barbara Kirchner has been honored with the Lynden-Bell Award 2019. The price is awarded in "recognition of a working life trajectory in ionic liquids".

 "How much plastic is too much for us?"  Dr. Oldamur Hollóczki published a newspaper article which deals with the environmental problems caused by plastic in the Frankfurter Allgemeine Zeitung (FAZ). Link to the article "Wieviel Plastik ist zu viel für uns?" on

 The article Simplifed DFT methods for consistent structures and energies of large systems  by Eike Caldeweyher and Jan Gerit Brandenburg was chosen as January 2019 Psi-k Highlight.

 The J. Chem. Eng. Data article A Cluster Approach for Activity Coefficients: General Theory and Implementation by Johannes Ingenmey, Jan Blasius, Gwydyon Marchelli, Alexander Riegel and Prof. Barbara Kirchner has been selected as open acces ACS Editors' Choice article. 

 Prof. Stefan Grimme is a "Highly Cited Researcher“: Clarivate Analytics identified Stefan Grimme as a member of "an elite group recognized for exceptional research performance demonstrated by production of multiple highly cited papers that rank in the top 1% by citations for field and year in Web of Science."  The analyzed period covers the decade 2006-2016. With Prof. Frank Neese (Professor in Bonn from 2006-2011, now Honorary Professor) there is another theoretician from Bonn on this list.

Press release University of Bonn

News Archive





Sie sind hier: Startseite Workgroups


Three professorships are located at the Mulliken Center for Theoretical Chemistry:


Stefan Grimme Prof. Dr. Stefan Grimme: The Grimme group focuses on the development and application of efficient computational methods. Key areas are thermodynamics and mechanisms of organic reactions, biological systems, and the computation of spectra. Close cooperation with chemists from all areas makes the prediction and rationalization of experimental results possible.
b_kirchner.jpeg Prof. Dr. Barbara Kirchner: The Kirchner group models large and complex systems involving mainly liquids and their interfaces with a broad range of applications in f.e. energy devices or in finding sustainable answers to chemical solvent problems. This is tackled from different theoretical methods chosen and optimized to model natural processes as accurately as possible at the molecular level. The focus is on the quantum cluster equilibrium method, ab initio and traditional molecular dynamics simulations, and the development of tools for analyzing trajectories.
bredow_26032018.jpg Prof. Dr. Thomas Bredow: The Bredow group focuses on the application of solid-state quantum-chemical methods for studies of crystalline solids and surfaces. Key areas are ion diffusion processes in battery materials and adsorption processes in heterogeneous catalysis.

Dr. Oldamur Hollóczki is head of a junior research group. Prof. Dr. Frank Neese, MPI director of the Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, is associated as honorary professor. Prof. Dr. Sigrid Peyerimhoff is active as professor emeritus.