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Computational Spectroscopy




Elastin like peptides

The 2DIR spectrum is sensitive to the structure of the turn in Elastin like peptides. This is investigated in a collaborative effort with the groups of Dominik Marx (Bochum) and Andrei Tokmakoff (MIT)
(Animation: Santanu Roy and Chungwen Liang)

Perovskite Solar Cells

Since the first perovskite solar cell was described in 2009 the efficiency of these devices has essentially exploded recently surpassing the efficiency of organic solar cells. We study the fundamental properties of these facinating materials in particular the dynamics of the organic cations embedded in the perovskite structure. (Collaboration with the Bakulin group (Cambridge) and other groups in the field.)

Two-Dimensional Sum Frequency Generation

The 2DSFG signal is sensitive to the structure of surface bound molecules. For example the stucture of membrame bound proteins can be determined by this technique.

Spectral Oscillations

Oscillations observed in two-dimensional optical spectra have got a lot of attention as it was proposed to be a signature of quantum coherent transport and these phenomena were observed in biological molecules. Recent models, however, demonstrate that the oscillations are rather dominated by localized vibrational coherences. (Collaborations with the Miller group (Toronto/Hamburg) and the Kleinekathöfer group (Jacobs, Bremen).)

Water

Water is an omnipresent substance playing a crucial role for life. In biological systems the properties of water are different from that of pure water. We study the structure and dynamics of water in confined environments and in the proximity of hydrophobic groups/ (Collaborations with the Pshenichnikov (Groningen) and Skinner (Wisconsin) groups.)

Excitation induced effects

The excitation of a molecule can change the way that it behaves. For example excitation can induce a rearangement of the environment (denoted the Stokes shift) or excitation can lead to specific hydrogen bond breaking or molecular rearrangements as seen in molecular motors. We study the effect of both infrared and visible excitations. (Collaborations with Vöhringer (Bonn) and Pshenichnikov (Groningen).)