Stefan Grimme

Stefan Grimme (born September 4, 1963 in Braunschweig ) is a German theoretical chemist . The focus of his scientific work is the calculation of the electronic structure of large molecules. Since 2011 he has been a professor at the Mulliken Center for Theoretical Chemistry at the University of Bonn .

biography

After graduating from the Gaußschule in Braunschweig in 1982 , Grimme studied chemistry at the Technical University of Braunschweig from 1984 to 1989 , where he received his doctorate in 1991 with a theoretical and experimental doctoral thesis on CIDNP spectroscopy and photochemistry . In 1997 he completed his habilitation in theoretical chemistry at the University of Bonn under Sigrid Peyerimhoff . In 2000, he accepted a professorship for Theoretical Organic Chemistry at the University of Münster .

Research area

Grimme develops methods from quantum mechanics to calculate the electronic and spatial structure of large molecules and their spectroscopic properties. In close cooperation with experimental chemists and physicists, experiments are interpreted and z. B. elucidated chemical reaction mechanisms. His methodical work is mainly based on density functional theory . The approximation methods he developed for the complicated quantum mechanical equations are used worldwide in standard software. His specialty is the description of non-covalent or dispersion interactions, methods for calculating electronic excitation spectra and the precise thermochemistry of molecular reactions in the condensed phase.

Awards

In 1997, Grimme was awarded the Bennigsen Foerder Prize of the State of North Rhine-Westphalia and the teaching fellowship of the Fonds der Chemischen Industrie . In 2010 he received the Lise-Meitner Lectureship Award from the University of Jerusalem . In 2011 he was accepted into the Academy of Sciences and Arts of North Rhine-Westphalia . In 2013 he received the renowned Schrödinger Medal of the World Association of Theoretical and Computational Chemists (WATOC) and was accepted into the International Academy of Quantum Molecular Science . In 2014 he was listed by Thomson Reuters in a list of only 300 chemists worldwide as a “highly cited chemist” for the years 2002–2012. In 2015 he received the Gottfried Wilhelm Leibniz Prize awarded by the DFG , which is endowed with 2.5 million euros, for his research achievements in the field of theoretical chemistry . In 2018 he was elected a member of the German Academy of Sciences Leopoldia .

Fonts (selection)

• Dispersion-Corrected Mean-Field Electronic Structure Methods. In: Chemical Reviews 28, 2016, pp. 5105-5154, (Open Access) doi: 10.1021 / acs.chemrev.5b00533 .
• Low-Cost Quantum Chemical Methods for Noncovalent Interactions. In: The journal of physical chemistry letters. 5, 2014, pp. 4275-4284, ISSN  1948-7185 , (Open Access) doi: 10.1021 / jz5021313 .
• A General Quantum Mechanically Derived Force Field (QMDFF) for Molecules and Condensed Phase Simulations. In: Journal of chemical theory and computation. 10, 2014, pp. 4497-4514, ISSN  1549-9626 , (Open Access) doi: 10.1021 / ct500573f .
• A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. In: Journal of Chemical Physics. 132/15, 2010, 154104, ISSN  0021-9606 , doi: 10.1063 / 1.3382344 .
• Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory. In: Chemistry: a European journal. 18, 2012, pp. 9955-9964, ISSN  0947-6539 , doi: 10.1002 / chem.201200497 .
• Double-hybrid density functionals. In: Wiley Interdisciplinary Reviews: Computational Molecular Science . 4, 2014, pp. 576-600, ISSN  1759-0884 doi: 10.1002 / wcms.1193 .

Web links

• Member entry by Prof. Dr. Stefan Grimme at the German Academy of Sciences Leopoldina , accessed on May 9, 2018.
• Literature by and about Stefan Grimme in the catalog of the German National Library
• Press release from the University of Bonn
• Homepage at the University of Bonn
• Grimme, Stefan. on worldcat.org (list of publications)

Individual evidence

1. ↑ Life data, publications and academic family tree of Stefan Grimme at academictree.org, accessed on February 7, 2018.
2. ↑ German Research Foundation: Award on dfg.de.
3. ↑ Lise-Meitner Minerva Center for Computational Quantum Chemistry of the Hebrew University of Jerusalem: Award ( Memento of the original from February 9, 2015 in the Internet Archive ) Info: The archive link was inserted automatically and has not yet been checked. Please check the original and archive link according to the instructions and then remove this notice. 
4. ^ WATOC Schrödinger Medal: List of the award winners
5. ↑ Thomson Reuters: Page no longer available , search in web archives: list of frequently cited scientists
6. ^ University of Bonn: Stefan Grimme receives a Leibniz Prize