Luber Group

Our research

Our research deals with the development of theoretical methods at the interface of chemistry, biology, physics, and materials science. In particular, approaches derived from quantum mechanics have been in the focus of our work. We use various methods including wavefunction- and density functional theory-based approaches as well as ab initio molecular dynamics, enhanced sampling methods, Quantum Monte Carlo, and quantum mechanics/molecular mechanics. Applications encompass a broad range of systems ranging from (bio-)molecules and functional coordination compounds to condensed phase systems and solar light-driven processes.

Overview of our research interests

The group

Group picture

absent: A. Sinyavskiy

Open positions

PhD student


Students interested in pursuing a Master's thesis are encouraged to contact Sandra Luber to discuss possible projects (e.g. studies of catalytic systems, small programming/method development projects). Applications for a doctoral or postdoctoral position are highly welcome from exceptional students. For further details, please email Sandra Luber.


  • 14 Jul 2023 - Sandra has been elected to the board of trustees of the Paul Karrer Lecture.
  • 03 Jul 2023 - Yuhang has successfully defended his MSc thesis. Amazing work!
  • 28 Jun 2023 - We have a new PhD student and a PostDoc position available. We are looking forward to your application!
  • 13 Jun 2023 - The 59th Symposium on Theoretical Chemistry, co-hosted at ETH Zurich by the Richardson and Luber groups, is now open for registration! Sign up today!
  • 12 Jun 2023 - Momir has won a grant from the Dr. Helmut Legerlotz-Stiftung. Congratulations!