Carolin König

Prof. Dr. Carolin König is an Associate Professor (W2) in Computational Chemistry at the Institute of Physical Chemistry and Electrochemistry, Faculty of Natural Sciences, Leibniz University Hannover (LUH). She serves on the Executive Board of the Institute and leads the Computational Chemistry research group (AG Computational Chemistry). Her academic career includes an Emmy-Noether Young Research Group Leader position since 2019 and a tenure-track appointment at LUH since 2020, with the potential to progress to a full professorship (W3).

Her educational background includes:

• Doctorate in Theoretical Chemistry (summa cum laude) from University of Münster (2013)
• Diploma in Chemistry (grade: 1.1) from Heidelberg University (2009)
• Erasmus exchange studies at University of Helsinki (2007-2008)

Prof. König's research focuses on computational spectroscopy of complex (bio-)molecular systems, with expertise in quantum chemistry, multiscale and fragmentation approaches, and vibrational wave functions. Her work bridges theoretical chemistry with practical applications in biomolecular systems, particularly in understanding spectroscopic signatures of biological molecules. She develops advanced computational methods that enable accurate prediction of vibrational spectra for complex systems, which has implications for understanding protein structures and developing biomarkers for diseases like Alzheimer's.

Her publication record demonstrates a consistent trajectory of innovative research in computational chemistry, with a particular emphasis on vibrational spectroscopy and fragmentation methods. Recent work shows increasing sophistication in handling complex biomolecular systems, with applications ranging from understanding protein-ligand interactions in neurodegenerative diseases to developing new materials with tailored optical properties. Her research group has made significant contributions to vibrational embedding theory and tailored multilevel approaches that allow for quantum mechanical vibrational spectra calculations of previously intractable complex systems.

Her notable scientific achievements include:

• Hans G. A. Hellmann award 2023 for Groundbreaking developments in Quantum-Chemical Methods for Spectroscopic Signatures of Biological Systems
• Emmy-Noether Young Research Group Leader position funded by DFG
• Marie Sklodowska-Curie Individual Fellowship from the European Commission
• Feodor Lynen post-doc fellowship from the Alexander von Humboldt Foundation
• Post-doc fellowship from the Carlsberg Foundation

Prof. König has secured significant research funding through prestigious fellowship programs and research grants. Her Emmy-Noether group represents a major investment in her research program by the German Research Foundation (DFG). Her previous Marie Curie Fellowship at KTH Stockholm and post-doctoral fellowships demonstrate her ability to compete successfully for international research funding. She has also been recognized with the Hans G. A. Hellmann award, one of the most prestigious awards in theoretical chemistry in Germany.

Her research group, the Computational Chemistry group at Leibniz University Hannover, focuses on developing and applying advanced computational methods for spectroscopy of complex molecular systems. The group works at the intersection of theoretical chemistry, quantum physics, and biochemistry, with particular emphasis on vibrational spectroscopy and fragmentation approaches that enable accurate calculations of molecular properties for large biomolecular systems. Their work has important applications in understanding protein structures related to neurodegenerative diseases and developing new computational tools for materials science.