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
- Kota RT-TDDFT + k-points
Kota and Sandra published a paper on Development of Real-Time TDDFT Program with k-Point Sampling and DFT + U in a Gaussian and Plane Waves Framework in JCTC. Congratulations!
- Spark Ziwei
Ziwei has received the Spark funding grant from the Swiss National Science Foundation (SNSF).
- Lukas Phd Thesis
Lukas Schreder successfully defended his thesis on Localized Approaches to Chiral Spectroscopy and Multi-Reference Subsystems in Extended Systems. Congratulations!
Lukas Schreder with his PhD hat
