One
News

The article r2SCAN-3c: A “Swiss army knife” composite electronic-structure method from Stefan Grimme, Andreas Hansen, Sebastian Ehlert, and Jan-Michael Mewes is one of the most read Features in JCP in 2021 so far.


Prof. Stefan Grimme is again identified as a "Highly Cited Researcher" by the Web of Science Group: "Recognizing the true pioneers in their fields over the last decade, demonstrated by the production of multiple highly-cited papers that rank in the top 1% by citations for field and year in the Web of Science™. Of the world’s scientists and social scientists, Clarivate™ Highly Cited Researchers truly are one in 1,000."  The analyzed period covers the decade 2010-2020. With Prof. Frank Neese (Professor in Bonn from 2006-2011, now Honorary Professor) there is another theoretician from Bonn on this list.

Press release from the Web of Science Group

Press release from the University of Bonn


We warmly congratulate Dr. Martin Brehm (former student and developer of TRAVIS) for receiving the Hellmann award 2021 for his achievments in spectroscopy.

https://brehm-research.de/hellmann


The article "[Cl@Si20H20]: Parent Siladodecahedrane with Endohedral Chloride Ion" (https://pubs.acs.org/doi/10.1021/jacs.1c05598) on a collaboration with the group of Prof. M. Wagner (Frankfurt) with quantum chemical contributions by Markus Bursch, Andreas Hansen, Lukas Kunze and Stefan Grimme is highlighted on Chemistry World and ChemistryViews.


This week #ChemSciPicks highlights this work from P. Pracht and S. Grimme. Using quantum mechanical methods, they show that calculation of absolute molecular entropies and heat capacities can be made simple! Read for free here http://ow.ly/Q4A650Eob9H.

An artikel about this paper from Chemistry World: https://www.chemistryworld.com/news/easy-and-efficient-entropies-for-everyone/4013511.article.


The publication TRAVIS — A free analyzer for trajectories from molecular simulation by M. Brehm, M. Thomas, S. Gehrke, and Prof. B. Kirchner is in the TOP 5 of most read 2020 articles of the Journal of Chemical Physics (4,846 downloads).


Our former longtime colleague Dr. Bernd Nestmann died on January 16, 2021.
An obituary (in German)


Tom Frömbgen from the group of Prof. Barbara Kirchner was awarded for his Bachelor's degree by the German Chemical Society in Bonn.


"Wer bezahlt die rettende Idee?"
Dr. Oldamur Hollóczki published a newspaper article which deals with patents and pharmaceutical industry in the Frankfurter Allgemeine Zeitung (FAZ).


Prof. Stefan Grimme is again identified as a "Highly Cited Researcher" by the Web of Science Group: "Recognizing the true pioneers in their fields over the last decade, demonstrated by the production of multiple highly-cited papers that rank in the top 1% by citations for field and year in the Web of Science™. Of the world’s scientists and social scientists, Clarivate™ Highly Cited Researchers truly are one in 1,000."  The analyzed period covers the decade 2009-2019. With Prof. Frank Neese (Professor in Bonn from 2006-2011, now Honorary Professor) there is another theoretician from Bonn on this list.

Press release from the Web of Science Group

Press release from the University of Bonn


A talk of Dr. Oldamur Holloczki about nanoplastic can be found on microsoftstream.com:
Link to the talk


Markus Bursch from the group of Prof. Stefan Grimme was awarded the Sigrid Peyerimhoff Research Prize of the Bonn University Foundation.

Press release from the University of Bonn


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.


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".


News Archive

 

 
Two
Sie sind hier: Startseite Workgroups

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.

 

Artikelaktionen