Postdoc
Involved in projects
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.