MY RESEARCH BLOG

October 29, 2017

The next generation of Lars Goerigk Stefan Grimme’s massive and very diverse GMTKN (general main group thermochemistry, kinetics, and noncovalent interactions) benchmark for DFT has just been published. It entails almost 2,500 items grouped in 55 chemically distinct pr...

August 5, 2016

The themed issue Developments in Density Functional Theory of Physical Chemistry, Chemical Physics just came out: the issue honors chemical DFT pioneer Evert Jan Baerends (who is also the founding father of the ADF suite). Among lots of interesting artic...

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