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Nature Communications|March 11, 2025
Signatures of paracrystallinity in amorphous silicon from machine-learning-driven molecular dynamicsLouise A M Rosset, David A Drabold, Volker L Deringer
The Journal of Chemical Physics|July 9, 2025
Graph-neural-network predictions of solid-state NMR parameters in silica from spherical tensor decompositionChiheb Ben Mahmoud, Louise A M Rosset, Jonathan R Yates, et al.
The Journal of Chemical Physics|November 13, 2025
A foundation model for atomistic materials chemistryIlyes Batatia, Philipp Benner, Yuan Chiang, et al.
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