Wednesday, March 4, 2015

Selected publications of Stefan Grimme, Leibniz prize winner 2015

Contributed by Martin Korth

Yesterday, Stefan Grimme received a Leibniz prize, which is awarded by the German Research Foundation DFG every year to ten outstanding German scientists across all(!) fields and including a research grant of 2.5 million Euro each (probably the reason why it is called the 'German Nobel prize'):

Only a handful of theoretical chemists can boast to have one dangling over their Victorian fireplace; S. Peyerimhoff (1989), H.-J. Werner (2000), J. Gauß (2005), F. Neese (2010) - probably a club few would mind to join. Other chemists who have received the prize include H. Michel, G. Ertl, H. Schwarz, F. Schüth, ... - again not the usual bunch. (Like Philosophy? J. Habermas got one in 1986, Historical Science? J. Osterhammel did it in 2010, ... just look up the list on Wikipedia)

In honor of Grimme winning the prize, this highlight is devoted to a selection of his papers, with a focus on method development. He is of course already a well-known figure in our community (being amongst the 200 most cited chemists now), but not everyone might be aware of the breadth also of his methodological work - though CCH did it's best with no less than 7 Highlights devoted to his work over the last 3 years!

Here's the list:

DFT/MRCI 1996 1998
Spin-scaled methods 2003a 2003b (2012 review)
DFT-D 2004 2006 2010 - see CompChemHighlight (2011 review)
Double Hybrid functionals 2006a 2006b 2007a 2007b (2014 review)
gCP 2012 - see CompChemHighlight
Supramolecular binding 2012 - see CompChemHighlight
HF-3c 2013 - see  CompChemHighlight
QCEIMS 2013 - see CompChemHighlight 2014
simplified TDA 2013 2014
QMDFF 2014 - see CompChemHighlight
Crystal structure prediction 2014a 2014b

And the bonus numbers are:

Do special pi-pi interactions exist? 2008
Why not to use B3LYP/6-31G* 2012
Dispersion effects 2013 (amongst many other papers on this topic) - see CompChemHighlight
GMTKN benchmark databases 2010 2011 - is anyone NOT using them?

Congratulations to Stefan Grimme, we're looking forward to extend the list!