Prof. Dr. rer. nat. Carolin König


30167 Hannover


Focus in research and teaching
- Computational spectroscopy of complex (bio-)molecular systems
- Quantum chemistry
- Multiscale and fragmentation approaches
- Vibrational wave functions
Curriculum vitae
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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 leader03/2018 – 09/2020
Juniorprofessor (W1) in Theoretical Chemistry at Christian Albrechts University (CAU) Kiel07/2017 – 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 methods06/2016 – 06/2017
Post-doc at the Royal Institute of Technology (KTH) Stockholm, Sweden with Prof. Hans Ågren and Dr. Zilvinas Rinkevicius
Topic: Computational nanotechnology01/2014 – 05/2016
Post-doc at Aarhus University, Denmark, with Prof. Ove Christiansen
Topic: Local approaches to vibrational structure methods08/2013 – 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, Finland10/2004 – 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
- Hans G. A. Hellmann award 2023 for Groundbreaking developments in Quantum-Chemical Methods for Spectroscopic Signatures of Biological Systems
Activities
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Presentations
04/2025
Tailored multi-level quantum chemistry: A virtual magnifying glass for spectroscopic signatures
Inorganic Chemistry Symposium | Hamburg11/2024
Vibrational embedding theory
Southern Lower Saxony Theoretical Chemistry Meeting | Göttingen10/2024
Vibrational embedding theory
New Developments in Quantum Chemistry | Karlsruhe11/2023
Tailored multi-level quantum chemistry: A virtual magnifying glass for spectroscopic signatures
Southern Lower Saxony Theoretical Chemistry Meeting | Braunschweig09/2023
Hans G.A. Hellmann award lecture: Quantum-chemical methods for spectroscopic signaturesof biomolecular systems
Symposium of Theoretical Chemistry 2023 | Zürich, Switzerland01/2023
Optical Property Calculations with Tailored Quantum-Chemical approaches
PhoenixD Colloquium | Leibniz University Hannover11/2022
Tailored Quantum Chemistry for Electronic Interaction Energies, Potential Energy Surfaces and Vibrational Wave Functions
Symposium of the Atomistic Simulation Center (Paderborn, Berlin, Erlangen)
online11/2022
Fragmentation and Multi-Level Approaches for Anharmonic Vibrational Spectra Calculations
Institut of Theoretical Chemistry | University of Stuttgart06/2022
Optical Property Calculations with Tailored Quantum-Chemical Approaches
Materials Chemistry Symposium | Leibniz University Hannover03/2022
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 restrictions01/2022
Tailored Computational Spectroscopy — A Virtual Magnifying Glass for Spectroscopic Signatures
Phoenix-D Area S Meeting | Leibniz University Hannover12/2021
Embedded vibrations for tailored anharmonic spectra of complex systems
cecam | Flagship workshop | Anharmonic Effects in Vibrational Spectroscopy04/2021
Computational spectroscopy of complex molecular systems
invited talk
PhoenixD | Leibniz University Hannover12/2020
Leading lights for understanding biomolecular systems
Christmas colloquium GDCh | Hannover11/2020
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)