Luca Gerhards

Involved in projects

Universität Oldenburg
Institut für Physik
Carl-von-Ossietzky-Str. 9-11
26129 Oldenburg, Germany


My experience focuses on photocatalytic surface reactions of small molecules, solid state physics, electronic excitations using highly accurate ab initio quantum chemical methods. Besides that, my current research is dedicated to spin dynamical processes and the description of spin relaxation in order to investigate the behavior of radicals in protein structures. I am also taking part on the development of the VIKING suite (scandinaVIan KIt for nanoscale modelinG), which is a software toolkit tailored for addressing biomedical research problems using multiscale computational modeling techniques.


Research Interest:

  • Solid State Physics
  • Light-Matter-Interaction
  • Charge-Transfer Processes
  • Adsorption of Small Molecules on Surfaces
  • Density Functional Theory (DFT, TD-DFT)
  • Multireference Methods (CASSCF, NEVPT2, MR-CI)
  • Spin Dynamics
  • Spin Relaxation (Redfield Theory)
  • NMR and EPR Spectroscopy
  • Protein Structures
  • Biochemical Reactions



Across atoms to crossing continents: Application of similarity measures to biological location data, Fabian Schuhmann, Leonie Ryvkin, James D. McLaren, Luca Gerhards, Ilia A. Solov'yov, PLoS ONE, 18, e0284736, (2023)
Modeling spin relaxation in complex radical systems using MolSpin, Luca Gerhards, Claus Nielsen, Daniel R. Kattnig, P. J. Hore, Ilia A. Solov'yov, Journal of Computational Chemistry, 44, 1704-1714, (2023)
Spin Dynamics of Flavoproteins, Jörg Matysik, Luca Gerhards, Tobias Theiss, Lisa Timmermann, Patrick Kurle-Tucholski, Guzel Musabirova, Ruonan Qin, Frank Ortmann, Ilia A. Solov'yov, Tanja Gulder, International Journal of Molecular Sciences, 24, 8218-(1-19), (2023)
Effects of Dynamical Degrees of Freedom on Magnetic Compass Sensitivity: A Comparison of Plant and Avian Cryptochromes, Gesa Grüning, Siu Ying Wong, Luca Gerhards, Fabian Schuhmann, Daniel R. Kattnig, P. J. Hore, Ilia A. Solov'yov, Journal of the American Chemical Society, 144, 22902-22914, (2022)
The same, but different, but still the same: structural and dynamical differences of neutrophil elastase and cathepsin G, Fabian Schuhmann, Xiangyin Tan, Luca Gerhards, Heloisa N. Bordallo, Ilia A. Solov'yov, European Physical Journal D, 76, 126-(1-14), (2022)