The group performs theoretical calculations and computational simulations including method development on a variety of molecular systems. In order to tackle the large range of dynamical processes involved, molecular dynamics simulations, electronic structure calculations and quantum dynamical simulations are performed and often coupled.
Topics
- Excitation energy transfer in light-harvesting complexes
- Passive transport through nanopores
- Active transport across bacterial membranes
- Time-dependent effects in charge transport systems
- Nonlinear spectroscopy and coherent control
- Member of the DFG Research Training Group “Quantum Mechanical Materials Modelling”
- Member of the DFG Priority Program “Molecular Machine Learning”