Theoretical Chemistry of Nanoscale Systems


Welcome to the website of the research unit Theoretical Chemistry of Nanoscale Systems. Our research belongs to the  topic Functional Molecules at the Institute of Nanotechnology (INT) at the Karlsruhe Institute of Technology.


Study leads to new cost-effective adiabatic connection methods for electron correlation energies

Prof. Dr. Willem Klopper, Dr. Michael Harding, and collaborators published a featured article about computing Bethe-Salpeter correlation energies of atoms and molecules in The Journal of Chemical Physics.

J. Chem. Phys. 149, 114106 (2018)
Quantum chemistry for single molecule magnets

Dr. Tilmann Bodenstein and PD Dr. Karin Fink published an overview article about wavefunction computations on single molecular magnets and their underlying physical concepts in Nachrichten aus der Chemie (German).

Nachrichten aus der Chemie, 65, 339-342 (2017)