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
2023
- Sellschopp, K.,Vonbun-Feldbauer, G.B. (2023) . Mechanical properties of TiO2/carboxylic-acid interfaces from first-principles calculations. Nanoscale, Vol. 15, , , 42, 16967-16975. DOI: https://doi.org/10.1039/D3NR01045G . OPEN ACCESS
2021
2018