The Luber Group
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
absent: A. Sinyavskiy
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.
- 30 March 2023 - Edward has successfully defended his PhD thesis on Chiral Vibrational Spectroscopy with the Nuclear Velocity Perturbation Theory and the Magnetic Field Perturbation Theory. Great job 🎉
- 29 March 2023 - Rangsiman and Sandra published their article Enabling Direct Photoelectrochemical H2 Production Using Alternative Oxidation Reactionson WO3 in Chemia.
- 21 March 2023 - Fabrizio and Sandra published a research article together with the Tilley group and others on Solution phase treatments of Sb2Se3 heterojunction photocathodes for improved water splitting performance in Journal of Materials Chemistry A.
- 13 February 2023 - In collaboration with the research group of Prof. Spingler at UZH, Johann and Sandra published a research article on BODIPY-Based Photothermal Agents with Excellent Phototoxic Indices for Cancer Treatment.
- 9 January 2023 - Ruocheng, Johann and Sandra published their article Automatic purpose-driven basis set truncation for time-dependent Hartree–Fock and density-functional theory in Nature Communications.