Yesterday, Stefan Grimme received a Leipniz price, 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 price'): http://www.dfg.de/en/funded_projects/prizewinners/leibniz_prize/2015/index.html
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 price 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, err - just look up the list on Wikipedia!)
In honor of Grimme wining the price, 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 breath of his work - though CCH did it's best with no less than 7 CompChemHighlights devoted to his work over the last 3 years!
Here's the list:
DFT/MRCI 19961998
Spin-scaled methods 2003a2003b (2012 review)
DFT-D 20042006 2010 - see CompChemHighlight (2011 review)
Double Hybrid functionals 2006a2006b2007a2007b (2014 review)
gCP 2012 - see CompChemHighlight
Supramolecular binding 2012 - see CompChemHighlight
HF-3c 2013 - see CompChemHighlight
QCEIMS 2013 - see CompChemHighlight2014
simplified TDA 20132014
QMDFF 2014 - see CompChemHighlight
Crystal structure prediction 2014a2014b
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 others) - see CompChemHighlight
GMTKN benchmark databases 20102011 - is anyone NOT using them?
Congratulations to Stefan Grimme, we're looking forward to extend the list!
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 price 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, err - just look up the list on Wikipedia!)
In honor of Grimme wining the price, 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 breath of his work - though CCH did it's best with no less than 7 CompChemHighlights devoted to his work over the last 3 years!
Here's the list:
DFT/MRCI 19961998
Spin-scaled methods 2003a2003b (2012 review)
DFT-D 20042006 2010 - see CompChemHighlight (2011 review)
Double Hybrid functionals 2006a2006b2007a2007b (2014 review)
gCP 2012 - see CompChemHighlight
Supramolecular binding 2012 - see CompChemHighlight
HF-3c 2013 - see CompChemHighlight
QCEIMS 2013 - see CompChemHighlight2014
simplified TDA 20132014
QMDFF 2014 - see CompChemHighlight
Crystal structure prediction 2014a2014b
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 others) - see CompChemHighlight
GMTKN benchmark databases 20102011 - is anyone NOT using them?
Congratulations to Stefan Grimme, we're looking forward to extend the list!
