Humboldt-Universität zu Berlin - Faculty of Mathematics and Natural Sciences - Theoretical Chemistry

Welcome to the Theoretical Chemistry Group

Group picture 2022





Dezember 2023

  • Congratulations, Eric, on being accepted for the Walter Benjamin Programme of the DFG
    The research project aims at a microscopic understanding of thermal reaction mechanisms and molecular spin properties in polaritonic chemistry. Ab initio electronic structure methods will be developed for closed- and open-shell molecules strongly coupled to low-frequency optical cavities.


Dezember 2023


November 2023

    • Welcome to the group, Dr. Eric Fischer.
      Dr. Eric Fischer joins the Quantum Chemistry Group as a guest scientist for four month.

September 2023

      • Presentation Award at the QBIC VI
        Congratulations to Esma on winning the prize for the best oral presentation at the 6th Quantum Bio-Inorganic Chemistry Conference in Warsaw.



September 2023

      • Good news: Our proposal for a new computer cluster has been accepted by the DFG

August 2023

  • Congratulations, Mihkel, on your paper about spin-adapted heatbath-CI, August 2023.


September 2023