Discovery of Spin-Crossover Candidates with Equivariant Graph Neural Networks and Relevance-Based Classification

Fuente: arXiv
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Bibliographic Details
Main Authors: Albavera-Mata, Angel, Prakash, Pawan, Gibson, Jason B., Fonseca, Eric, Ren, Sijin, Zhang, Xiao-Guang, Cheng, Hai-Ping, Shatruk, Michael, Trickey, S. B., Hennig, Richard G.
Format: Preprint
Published: 2025
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