2 papers
cond-mat.mes-hall2026
Tuning the Electronic Structure of Graphene by Controlling Spatial Confinement
Mohammadamir Bazrafshan, Thomas. D. Kühne
The electronic properties of a material depend on the spatial freedom of the electron wavefunction. A well-known example is graphite, which is a conventional gapless semiconductor,…
cond-mat.mtrl-sci2025
Benchmarking Universal Machine Learning Interatomic Potentials on Elemental Systems
Hossein Tahmasbi, Andreas Knüpfer, Thomas D. Kühne +1
The rapid emergence of universal Machine Learning Interatomic Potentials (uMLIPs) has transformed materials modeling. However, a comprehensive understanding of their generalization…