Research Associate for the PhD Project "Light-versus ele\ ctron-induces spin-state switching of complexes on insulating layers", Universi\ tä Hamburg, Germany

The focus of the PhD project will be on "Light-versus electron-induced spin-state switching of complexes on insulating layers, to be studied from a theoretical/computational chemistry perspective in close collaboration with two experimental groups. The PhD student will be part of the DFG-funded collaborative research programme SPP 2491 on "Interactive Spin-State Switching ( https://www.chemgeo.uni-jena.de/en/11649/spp2491 ), which i\ nvolves groups from all across Germany.
 
The position will be in the Herrmann group at the Department of Chemistry. We have long-standing expertise in theoretical molecular electronics and spintronics, including the spin-dependent properties of molecules and their manipulation. Our methodological expertise spans from electronic structure theory to electron transport theory, machine learning, and molecular dynamics simulations, providing opportunities for students to acquire a broad range of skills. The close interaction with the experimental group of Prof. Dr. Manuel Gruber (scanning probe microscopy, https://www.uni-due.de/physik/gruber ) and Prof. Dr. Heiko Wende (spectroscopy of magnetic nanostructures, https://www.uni-due.de/physik/wende ), both from the physic\ s department at University of Duisburg-Essen, will provide an interdisciplinary and collaborative environment with many options to grow and learn. The project will be focused on investigating spin-crossover (SCO) complexes in direct contact with surfaces, where the interaction of the molecules with a metal substrate is gradually tuned by inserting an insulating layer of variable thickness. We will employ temperature, light, (tunneling) electrons, and soft x-rays to trigger the spin-state switching of the complexes. We will address two core topics of the Priority Programme 2491 Interactive Spin-State Switching: (i) the impact of the interaction with the local environment on the molecular switches and (ii) provide a better understanding of the switching mechanisms at the molecular level. The PhD student shall, in close interaction with his or her experimental counterparts, develop and validate first-principles and semiempirical electronic structure methodology to describe spin-crossover complexes on surfaces and to extract quantities relevant for their switching behavior, correlate these quantities with spin switching rates measured by our collaborators, and formulate mechanistic hypotheses and suggestions for optimally switching molecular systems. This may be supported by (machine-learning) molecular dynamics methods.
 
Hamburg is a vibrant city in the north of Germany, with a long-standing history of being open to the world and ranked among the top 20 most livable cities worldwide. The Herrmann group is located on the DESY campus embedded in a rich research environment, and we are part of the cluster AIM: Centre for Ultrafast Imaging within the national Excellence Initiative.
Ap 
plicants should have a strong interest in theoretical chemistry and/or nanoscience, a (prospective) masters degree or equivalent in chemistry, nanosciences, physics, materials sciences or a related subject, and a solid background in theoretical chemistry and/or condensed matter physics. Prior experience with programming languages (in particular Python) is welcome, though not required. Solid English skills (both written and oral) are mandatory, knowledge of (or the willingness to learn) German is a plus.
 
The position has a guaranteed funding for 36 months. Salary will be paid at the TV-L E13 67% level, which corresponds to a regular work contract with healthcare, social security, paid parental leave and paid vacation. Guaranteed funds are available to attend yearly conferences, as well as for regular meetings with collaboration partners in Duisburg and with the full SPP consortium in Jena.

Please use the link to apply by September 28, 2025 https://www.uni-hamburg.de/en/stellenangebote/auss chreibung.html?jobID=407c2f688e95ee027090a3b520ccc29cfd105102