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, also enhanced by machine learning techniques. Our simulations allow detailed atomistic and realistic insight into complex molecular and materials systems.
Our research spans a variety of systems, ranging from functional coordination compounds, proteins, and other biomolecules, to liquids, interfaces, and other condensed-phase environments like solids. Our work also supports exploration of challenging processes such as solar light-driven reactions, photodynamic (cancer) therapy, 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
- Arianit PhD
After a well deserved break, Arianit is back with us for a PhD position. We’re looking forward to the continued collaboration!
- Spark Momir
Momir has received the Spark funding grant from the Swiss National Science Foundation (SNSF).
- Ziwei Continuum Solv Solver
Ziwei and Sandra have published a paper on Anisotropic Interface Continuum Solvation Model and the Finite-Element Anisotropic Poisson Solver in JCTC. Congratulations!
