We study complex chemical processes and reactions with computational methods.
We develop theoretical methods in chemistry, (bio-)physics, and materials science, with a focus on approaches derived from quantum mechanics. Our simulations allow detailed atomistic insight into complex systems and exploration of challenging processes. Examples include the study of functional coordination compounds, (bio-)molecules, and condensed phase systems such as liquids and interfaces as well as solar light-driven processes and catalysis for sustainable energy research.
Open position
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.
Featured News
- Publication Grand Canonical Ensemble Approaches in CP2K
Ziwei and Sandra published a paper on Grand Canonical Ensemble Approaches in CP2K for Modeling Electrochemistry at Constant Electrode Potentials in JCTC.
- Paper metadynamics study of water oxidation reactions
Rangsiman, Fabrizio and Sandra have just published a paper on A metadynamics study of water oxidation reactions at (001)-WO3/liquid-water interface in Chem Catalysis.
- Ke Chen postdoc grant
Ke Chen has won an UZH Postdoc grant! Congratulations!
