Structure motif–centric learning framework for inorganic crystalline systems

Incorporation of physical principles in a machine learning (ML) architecture is a fundamental step toward the continued development of artificial intelligence for inorganic materials. As inspired by the Pauling’s rule, we propose that structure motifs in inorganic crystals can serve as a central inp...

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Veröffentlicht in:Sci Adv
Hauptverfasser: Banjade, Huta R., Hauri, Sandro, Zhang, Shanshan, Ricci, Francesco, Gong, Weiyi, Hautier, Geoffroy, Vucetic, Slobodan, Yan, Qimin
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Association for the Advancement of Science 2021
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Research Articles
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8059928/
https://ncbi.nlm.nih.gov/pubmed/33883136
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1126/sciadv.abf1754
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