Software, die von CTMC Mitgliedern entwickelt wird:

• AK Neugebauer: SERENITY is an open-source, C++ Quantum Chemistry code especially designed for calculations on systems composed of several subsystems. It features a wide variety of subsystem and embedding methods.
  • Follow this link to download SERENITY from github.
  • The program is described in the following article: J. P. Unsleber, T. Dresselhaus, K. Klahr, D. Schnieders, M. Böckers, D. Barton, J. Neugebauer, SERENITY: A Subsystem Quantum Chemistry Program, J. Comput. Chem. 39 (2018), 788-798.
  • Updated information can be found here: N. Niemeyer, P. Eschenbach, M. Bensberg, J. Tölle, L. Hellmann, L. Lampe, A. Massolle, A. Rikus, D. Schnieders, J.P. Unsleber, J. Neugebauer, The Subsystem Quantum Chemistry Program SERENITY, WIREs Comput. Mol, Sci. e1647 (2022).
  • For more information see here: https://www.uni-muenster.de/Chemie.oc/neugebauer/softwareAKN.html

 

• Software-Entwicklungen der Ohlberger-Gruppe:

  https://www.uni-muenster.de/AMM/ohlberger/software/index.shtml