Theoretical and computational chemistry

Implementations in major program packages, e.g. in

  • Turbomole (local, non-public version)
  • MOVIPAC [J. Comput. Chem. 33 1165 (2013)] (freely available for download)
  • CP2K (www.cp2k.org) (freely available for download)

Our group takes part in the university research priority program
“Solar light to chemical energy conversion” (LightChEC):
Link