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Dr. rer. nat. Kai Sellschopp

Wtn-staff Picture Kai-sellschopp 2023-04-13

Dr. rer. nat. Kai Sellschopp

Materials Design

Scientist

Phone: +49 (4152) 87-2634

Fax: +49 (4152) 87-2625

Atomistic Modelling and Simulation

Working areas
Publications

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