Dr. rer. nat. Kai Sellschopp
Dr. rer. nat. Kai Sellschopp
Materials Design
ScientistPhone: +49 (4152) 87-2634
Fax: +49 (4152) 87-2625
Atomistic Modelling and Simulation
- Atomic-scale modelling and simulation of Metal Hydride materials
- Automation of computational workflows
- Nuclear Quantum Effects of Hydrogen in Metals
- Modelling of surfaces and interfaces
2021
- Konuk, M.; Sellschopp, K.; Vonbun-Feldbauer, G.; Meißner, R. (2021) . Modeling Charge Redistribution at Magnetite Interfaces in Empirical Force Fields. The Journal of Physical Chemistry C, Vol. 125, 8, 4794 - 4805. DOI: 10.1021/acs.jpcc.0c10338 . OPEN ACCESS
2018