Research output per year
Research output per year
Personal profile
Academic career and education
2020 –present Associate Professor for Computational Chemistry
(W2 in a tenure-track programme to a full professorship, W3)
Faculty of Natural Sciences, Leibniz University Hannover, Germany
2018 – 2020 Junior Professor for Theoretical Chemistry (W1)
Faculty of Mathematics and Natural Sciences, Kiel University, Germany
2017 – 2018 Researcher at the Department of Theoretical Chemistry & Biology at KTH
Stockholm, Sweden
2016 – 2017 Post doc at the Department of Theoretical Chemistry & Biology at KTH
Stockholm, Sweden
2014 – 2016 Post doc at the Department of Chemistry at Aarhus University, Denmark
2013 PhD (Dr. rer. nat.) in Theoretical Chemistry
Department of Chemistry and Pharmacy, University of Münster, Germany (2012-2013)
Faculty of Life Sciences, Technical University Braunschweig, Germany (2011-2012)
Faculty of Natural Sciences, Leiden University, The Netherlands (2010-2011)
2009 Diploma in Chemistry
Faculty of Chemistry an Earth Sciences, Heidelberg University, Germany
Research output
-
Comprehensive Comparison of Molecular Fragmentation Schemes for Proteins
Rüther, K., Bunge, K., Hilmer, L. M., Hellmers, J. I. & König, C., 14 Apr 2026, In: Journal of Chemical Theory and Computation. 22, 7, p. 3282-3304 23 p.Research output: Contribution to journal › Article › Research › peer review
Open Access -
Molecular Dynamics Simulations and Electric Field Poling of Covalently Bonded Chromophores at Poly(methyl Methacrylate)
Denda, N. M., Albayrak, O., Menzel, H., König, C., Behrens, P. & Schneider, A. M., 25 Jun 2026, In: The Journal of Physical Chemistry B. 130, 25, p. 6480–6493 14 p.Research output: Contribution to journal › Article › Research › peer review
Open Access -
Navigating the Landscape of Cycloartanyl Cations: Synthesis of Fortunefuroic Acid I, Parkeol, 25,26,27-Trinor-3α-hydroxy-17,13-friedolanosta-8,12-dien-23-one, and Spirochensilide A
Kizakis, M. G. K., Treger, M., Dräger, G., König, C. & Heretsch, P., 8 Apr 2026, In: Journal of the American Chemical Society. 148, 13, p. 13912-13920 9 p.Research output: Contribution to journal › Article › Research › peer review
Open Access -
Accessing Multiple Phases via Thermodynamic or Kinetic Pathways: The Impact of Bivalent Ferrocene Spacers on 2D Hybrid Perovskite Formation
Dahlke, M., Krysiak, Y., Treger, M., König, C. & Polarz, S., 5 Nov 2025, In: ACS Applied Materials & Interfaces. 17, 44, p. 60997-61006 10 p.Research output: Contribution to journal › Article › Research › peer review
Open Access -
A Subsystem Perspective on Vibrational Coupled Cluster Response Theory
Olsen, L., König, C. & Christiansen, O., 18 Sept 2025, In: The Journal of Physical Chemistry A. 129, 37, p. 8699–8713 15 p.Research output: Contribution to journal › Article › Research › peer review
-
Ferrovskites: Semiconductors with Adjustable Properties
Polarz, S. (Principal Investigator), Bande, A. (Principal Investigator) & König, C. (Principal Investigator)
15 Dec 2025 → 31 Mar 2029
Project: Research
-
Tailored vibrational structure theory for difference infrared spectra of photoactive flavoproteins
König, C. (Principal Investigator)
1 Aug 2024 → 31 Jul 2027
Project: Research
-
Understanding and predicting spectroscopic signatures of biomolecular systems by tailored quantum-chemical approaches
König, C. (Principal Investigator)
1 Oct 2020 → 31 Jan 2026
Project: Research
-
PhoenixD: Cluster of Excellence 2122/1, Task Group M1: Materials Task Group
Maier, H. J. (Principal Investigator), Bigall, N.-C. (Co-Principal Investigator), Dencker, F. (Co-Principal Investigator), Dorfs, D. (Co-Principal Investigator), Gebauer, D. (Co-Principal Investigator), Holländer, U. (Co-Principal Investigator), König, C. (Co-Principal Investigator), Lauth, J. (Co-Principal Investigator), Lübkemann-Warwas, F. (Co-Principal Investigator), Morales Casero, I. (Co-Principal Investigator), Polarz, S. (Co-Principal Investigator), Schaate, A. (Co-Principal Investigator), Spelthann, S. J. F. (Co-Principal Investigator), Thomas, E. L. H. (Co-Principal Investigator) & Wurz, M. C. (Co-Principal Investigator)
1 Jan 2019 → 31 Dec 2025
Project: Research
Datasets
-
Data associated with the study titled "Tailored anharmonic potential energy surfaces for infrared signatures"
Hellmers, J. (Creator), Czember, P. (Creator) & König, C. (Creator), Zenodo, 28 Oct 2024
DOI: 10.5281/zenodo.12754786, https://zenodo.org/records/14002766
Dataset
Equipment
-
Atomistic Classical Molecular Dynamics - Possibility of Cooperation
König, C. (Head)
Institute of Physical Chemistry and ElectrochemistryFacility/equipment: Other
-
Quantum Chemical Calculations - Possibility of cooperation
König, C. (Head)
Institute of Physical Chemistry and ElectrochemistryFacility/equipment: Other
Prizes
-
-
-
-
Marie Sklodowksa Curie International Fellowship
König, C. (Recipient), 2017
Prize: Competitive fellowship
-
Optical property calculations with tailored quantum-chemical approaches
König, C. (Speaker)
9 Jan 2023Activity: Talk or presentation › Invited talk
-
Tailored quantum chemistry for electronic interaction energies, potential energy surfaces, and vibrational wave functions
König, C. (Speaker)
29 Nov 2022Activity: Talk or presentation › Invited talk
-
Computational Chemistry for Material Design
König, C. (Speaker)
25 Nov 2022Activity: Talk or presentation › Other talk/presentation
-
Fragmentation and multi-level approaches for anharmonic vibrational spectra calculations
König, C. (Speaker)
22 Nov 2022Activity: Talk or presentation › Invited talk
-
Optical property calculations with tailored quantum-chemical approaches
König, C. (Speaker)
15 Jun 2022Activity: Talk or presentation › Invited talk