Theoretical and computational chemistry
The following topics have been in the center of our research:
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)
