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AG Computational Chemistry

Organisational unit: Research Group

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Latest publications

  1. E-pub ahead of print
    Tailored anharmonic potential energy surfaces for infrared signatures

    Research output: Contribution to journal › Article › Research › peer review

  2. Published
    Vibrational Embedding Theory

    Research output: Contribution to journal › Article › Research › peer review

  3. Published
    Binding of a Pyrene-based Fluorescent Amyloid Ligand to Transthyretin: A Combined Crystallographic and Molecular Dynamics Study

    Research output: Contribution to journal › Article › Research › peer review

View all (10)

Latest prizes

  1. CIC Young Scientist Award for Computational Chemistry

    Prize

  2. Otto-Diels-Young-Scientist-Award

    Prize

Latest projects

  1. Tailored vibrational structure theory for difference infrared spectra of photoactive flavoproteins

    Project: Research

  2. Understanding and predicting spectroscopic signatures of biomolecular systems by tailored quantum-chemical approaches

    Project: Research

  3. Understanding and predicting spectroscopic signatures of biomolecular systems by tailored quantum-chemical approaches

    Project: Research

Latest activities

  1. 17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop 2022

    Activity: Participating in or organising an event › Participation in a conference/workshop etc. › Research

  2. 57th Symposium on Theoretical Chemistry

    Activity: Participating in or organising an event › Participation in a conference/workshop etc. › Research

  3. 57th Symposium on Theoretical Chemistry

    Activity: Participating in or organising an event › Participation in a conference/workshop etc. › Research

Parent Research Organisation