Our group is interested in the jigglings and wigglings of atoms and electrons. Whether they are inside a solar cell device or inside a living organism, we want to monitor them using our quantum and classical calculations.
…. everything that living things do can be understood in terms of the jigglings and wigglings of atoms….
Richard Feynman 1963
Our calculations are mainly focused on the applications in energy-related nanodevices and partly on living microorganisms and bio-nano devices.
Energy
We are in close collaboration with our experimental colleagues who design and fabricate photovoltaic (PV) solar cell devices. Molecular simulations can be of great importance for elucidating certain quantum and classical mechanisms involved. Together with our experimental collaborators, we try to maximize the efficiency and stability of emerging PV devices such as perovskite-based solar cells.
Living organisms
Starting with the COVID pandemic, our group initiated a project in collaboration with the University Hospital Zurich and funded by Microsoft AZURE to study the drug resistance mutations.
Quantum computers
Currently, we use classical high-performance computers and clusters for our purposes. Simulating atoms and electrons (or nature), however, is among the most anticipated applications of quantum computers. Therefore, part of our group is engaged in developing and implementing quantum chemistry algorithms in quantum computers.
