• The Impact of Retinal Configuration on the Protein–Chromophore Interactions in Bistable Jumping Spider Rhodopsin-1

    The Impact of Retinal Configuration on the Protein–Chromophore Interactions in Bistable Jumping Spider Rhodopsin-1

  • Computational Photochemistry Group

    Computational Photochemistry Group

    Our research is focused on light induced processes

  • Positions available

    Positions available

    Several positions are open now

  • Assessment of Approximate CC and ADC Methods for Applications in Photochemistry

    Assessment of Approximate CC and ADC Methods for Applications in Photochemistry

    See our recent work on benchmarking excited state methods

  • Spectroscopic characterization of Lumiflavin

    Spectroscopic characterization of Lumiflavin

  • Sodium Pumping Mechanism in Krokinobacter eikastus rhodopsin 2

    Sodium Pumping Mechanism in Krokinobacter eikastus rhodopsin 2

    The mechanism of sodium pumping mechanism in a light driven pump was resolved in an interdisciplinary approach

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Our objective is to apply and develop computational tools to understand chemical reactions in organic and biomolecules. On the application side our focus is on light-induced reactions, in particular in chromophore-protein complexes and solvated molecules. For this purpose we employ the QM/MM methodology which allows an accurate and efficient treatment of large systems. On the development side we have an interest in computational tools to support our research on photochemical/photobiological systems. We have contributions to several quantum chemistry packages with emphasis on multiconfigurational wavefunction methods.

Recent Publications