Prof. Dr. rer. nat. Carolin König

© Marie-Luise Kolb / LUH
Prof. Dr. rer. nat. Carolin König
Address
Callinstraße 3a
30167 Hannover
Building
Room
204
© Marie-Luise Kolb / LUH
Prof. Dr. rer. nat. Carolin König
Address
Callinstraße 3a
30167 Hannover
Building
Room
204
Positions
Executive Board
Institute of Physical Chemistry and Electrochemistry
Professors
Institute of Physical Chemistry and Electrochemistry
Professors
AG Computational Chemistry

Focus in research and teaching

  • Computational spectroscopy of complex (bio-)molecular systems
  • Quantum chemistry
  • Multiscale and fragmentation approaches
  • Vibrational wave functions

Curriculum vitae

  • Professional background

    since 10/2020
    Associate professor (W2) in Computational Chemistry at Leibniz University Hannover (LUH), time limited to 5 years within a tenure-track program to a full professorship (W3)

    since 10/2019
    Emmy–Noether young research group leader

    03/2018 – 09/2020
    Juniorprofessor (W1) in Theoretical Chemistry at Christian Albrechts University (CAU) Kiel

    07/2017 – 02/2018
    Marie Sklodowska-Curie Fellow at the Royal Institute of Technology (KTH) Stockholm, Sweden with Prof. Patrick Norman
    Topic: Theoretical prediction of spectral biomarkers for Alzheimer’s disease enabled by highly efficient and adaptable multi-level response methods

    06/2016 – 06/2017
    Post-doc at the Royal Institute of Technology (KTH) Stockholm, Sweden with Prof. Hans Ågren and Dr. Zilvinas Rinkevicius
    Topic: Computational nanotechnology

    01/2014 – 05/2016
    Post-doc at Aarhus University, Denmark, with Prof. Ove Christiansen
    Topic: Local approaches to vibrational structure methods

    08/2013 – 12/2013 Post-doc at University of Münster, Germany, with Prof. Johannes Neugebauer
    Topic: State-specific wave function in density functional theory embedding

  • Education

    31/07/2013
    Doctorate (grade: summa cum laude = with distinction)

    02/2010 – 07/2013
    PhD studies in Theoretical Chemistry with Prof. Johannes Neugebauer
    Thesis title: Subsystem-Based Quantum Chemistry for Photosynthetic Light Harvesting
    Affiliations:
    University of Münster, Germany (10/2012 – 07/2013)
    Technical University Braunschweig, Germany (07/2011 – 09/2012)
    Leiden University, The Netherlands (02/2010 – 06/2011)

    01/12/2009
    Diploma in Chemistry (grade: 1.1 = very good)

    09/2007 – 02/2008
    Erasmus exchange studies at the University of Helsinki, Finland

    10/2004 – 12/2009
    Diploma studies in Chemistry at Heidelberg University

  • Grants, fellowships and honours
    • Hans G. A. Hellmann award 2023 for Groundbreaking developments in Quantum-Chemical Methods for Spectroscopic Signatures of Biological Systems
      awarded by the Arbeitsgemeinschaft Theoretische Chemie
    • Emmy-Noether Young Research Group Leader by the DFG
    • Marie Sklodowska-Curie Individual Fellowship by the European Commission
    • Scholarship in Biotechnology by the Royal Institute of Technology (KTH) Stockholm
    • Post-doc fellowship by the Carlsberg Foundation, Denmark
    • Feodor Lynen post-doc fellowship by the Alexander von Humboldt Foundation, Germany
    • Summa cum laude distinction for outstanding PhD studies University of Münster, Germany
    • Stipend of the Dr. Sophie Bernthsen-Fond for outstanding Diploma studies, Faculty of Chemistry and Earth Sciences, Heidelberg University, Germany
    • Erasmus Mobility Grant 

Activities

  • Presentations

    04/2025
    Tailored multi-level quantum chemistry: A virtual magnifying glass for spectroscopic signatures
    Inorganic Chemistry Symposium | Hamburg

    11/2024
    Vibrational embedding theory
    Southern Lower Saxony Theoretical Chemistry Meeting | Göttingen

    10/2024
    Vibrational embedding theory
    New Developments in Quantum Chemistry | Karlsruhe

    11/2023
    Tailored multi-level quantum chemistry: A virtual magnifying glass for spectroscopic signatures
    Southern Lower Saxony Theoretical Chemistry Meeting | Braunschweig

    09/2023
    Hans G.A. Hellmann award lecture: Quantum-chemical methods for spectroscopic signaturesof biomolecular systems
    Symposium of Theoretical Chemistry 2023 | Zürich, Switzerland

    01/2023
    Optical Property Calculations with Tailored Quantum-Chemical approaches
    PhoenixD Colloquium | Leibniz University Hannover

    11/2022
    Tailored Quantum Chemistry for Electronic Interaction Energies, Potential Energy Surfaces and Vibrational Wave Functions
    Symposium of the Atomistic Simulation Center (Paderborn, Berlin, Erlangen)
    online

    11/2022
    Fragmentation and Multi-Level Approaches for Anharmonic Vibrational Spectra Calculations
    Institut of Theoretical Chemistry | University of Stuttgart

    06/2022
    Optical Property Calculations with Tailored Quantum-Chemical Approaches
    Materials Chemistry Symposium | Leibniz University Hannover

    03/2022
    Tailored Multi-Level Quantum Chemistry: A Virtual Magnifying Glass for Spectroscopic Signatures
    HYBRID seminar of the research groups of Prof. Robert Berger, Prof. Michael von Domaros, Prof. Gernot Frenking and apl. Prof. Florian Weigend (all Marburg) as well as the group of Prof. Ralf Tonner (Leipzig) and Prof. Max Holthausen (Frankfurt)
    online due to COVID restrictions

    01/2022
    Tailored Computational Spectroscopy — A Virtual Magnifying Glass for Spectroscopic Signatures
    Phoenix-D Area S Meeting | Leibniz University Hannover

    12/2021
    Embedded vibrations for tailored anharmonic spectra of complex systems
    cecam | Flagship workshop | Anharmonic Effects in Vibrational Spectroscopy

    04/2021
    Computational spectroscopy of complex molecular systems
    invited talk
    PhoenixD | Leibniz University Hannover

    12/2020
    Leading lights for understanding biomolecular systems
    Christmas colloquium GDCh | Hannover

    11/2020
    Tailored multi-level vibrational theory: A computational magnifying glass for IR signatures
    invited talk | Freie Universität Berlin

Teaching courses

  • Statistical Models and Polymers (MSc, part on statistical models, lecture and excercise)
  • Computational Spectroscopy (elective course MSc, lecture and experimental excercise)
  • Computational Chemistry (part on quantum chemistry, lecture and excercise)
  • Special Computer Applications in Chemistry 2: Latex (elective course BSc, lecture and experimental excercise)
  • Special Computer Applications in Chemistry 3: Python (elective course BSc, lecture and experimental excercise)