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cond-mat.mtrl-sci2024★ 8 cited
Graph-neural-network predictions of solid-state NMR parameters from spherical tensor decomposition
Chiheb Ben Mahmoud, Louise A. M. Rosset, Jonathan R. Yates +1
Nuclear magnetic resonance (NMR) is a powerful spectroscopic technique that is sensitive to the local atomic structure of matter. Computational predictions of NMR parameters can he…
cond-mat.mtrl-sci2024
Signatures of paracrystallinity in amorphous silicon
Louise A. M. Rosset, David A. Drabold, Volker L. Deringer
The structure of amorphous silicon (a-Si) has been studied for decades. The two main theories are based on a continuous random network and on a `paracrystalline' model, respectivel…