Luca Gerhards

Luca
Postdoc

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

Email: luca.gerhards@uni-oldenburg.de

 

 

 

 

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

I am a developer of the software Molspin

As a theoretical chemist, I specialize in the exploration of electronic structures and chemical reactions in complex systems, notably within proteins and on surfaces. A core area of my research lies in spin-selective reactions, which can be altered by external magnetic fields, with the radical pair mechanism being a key focus.
Delving deeply into such spin-dependent processes in complex systems necessitates a profound knowledge of open quantum systems and advanced multiscale techniques. In my research, I bridge the gap between electronic structure insights and spin dynamics to effectively understand spin-dependent chemical reactions. Additionally, I am actively refining and integrating cuttingedge methods for large spin systems into our open-source MolSpin software.
Beyond this, MolSpin seamlessly connects theoretical studies and experimental methods by simulating spectroscopic data.

 

Publications

Magnetosensitivity of Model Flavin-Tryptophan Radical Pairs in a Dynamic Protein Environment, Philip L. Benjamin, Luca Gerhards, Ilia A. Solov'yov, P. J. Hore, Journal of Physical Chemistry B, 129, 5937-5947, (2025)
Revealing the Impact of g-Tensor Anisotropy on the Charge Recombination in Donor-Acceptor Dyads under High Magnetic Fields, Paul Mentzel, Luca Gerhards, Denise Koppenhöfer, Alexander Schmiedel, Marco Holzapfel, Nikita N. Lukzen, Ilia A. Solov'yov, Ulrich E. Steiner, Christoph Lambert, Journal of the American Chemical Society, 147, 23068-23078, (2025)
European Robin Cryptochrome-4a Associates with Lipid Bilayers in an Ordered Manner, Fulfilling a Molecular-Level Condition for Magnetoreception, Marta Majewska, Maja Hanić, Rabea Bartölke, Jessica Schmidt, Justyna Bo\'zek, Luca Gerhards, Henrik Mouritsen, Karl-Wilhelm Koch, Ilia A. Solov'yov, Izabella Brand, ACS Chemical Biology, 20, 592-606, (2025)
The Effect of Spin Relaxation on Magnetic Compass Sensitivity in ErCry4a, Gesa Grüning, Luca Gerhards, Siu Ying Wong, Daniel R. Kattnig, Ilia A. Solov'yov, ChemPhysChem, e202400129, 1-14, (2024)
How do Antimicrobial Peptides Interact with the Outer Membrane of Gram-Negative Bacteria? Role of Lipopolysaccharidesin Peptide Binding, Anchoring, and Penetration, Justus C. Stephani, Luca Gerhards, Bishoy Khairalla, Ilia A. Solov'yov, Izabella Brand, ACS Infectious Diseases, 10, 763-778, (2024)