cr-2017-00081t_0031Crossings of electronic potential energy surfaces in nuclear configuration space, known as conical intersections, determine the rates and outcomes of a large class of photochemical molecular processes.

We have established a wide range of time-resolved spectroscopic techniques which span from the infrared to the X-ray regimes and can be used for probing the nonadiabatic dynamics in the vicinity of conical intersections.

jz-2016-01369k_0005The functional understanding of biomolecules like DNA, RNA and phospholipids requires knowledge of the ultrafast dynamics on the femto- to picosecond time scale of molecular motions due to fluctuating electric fields and hydrogen bonding.

2D-IR spectroscopy offers chemical selectivity with a (sub-)100 fs time resolution allowing to study these phenomena in real time.

Basic processes in chemistry and biology involve protons in a water environment. Water structures accommodating protons and their motions have so far remained elusive.


Our research aims at the development of novel simulation algorithms for the real time description of quantum dynamics subject to a dissipative environment. In particular the description of dissipative quantum dynamics subject to non-Markovian system-bath memory poses persistent challenges that arise in particular for systems of biological relevance, e.g., composed of multiple exciton states coupled to charge transfer states. We recently developed the non-perturbative path-integral based MAGCIC-QUAPI method that speeds up simulations dramatically and facilitates the description of nonadiabatic relaxation dynamics of much larger systems, thus showing significant potential for time-resolved biophysics and physical-chemistry applications