Graph Comparison of Molecular Crystals in Band Gap Prediction Using Neural Networks

[Image: see text] In material informatics, the representation of the material structure is fundamentally essential to obtaining better prediction results, and graph representation has attracted much attention in recent years. Molecular crystals can be graphically represented in molecular and crystal...

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Detalles Bibliográficos
Autores principales: Taniguchi, Takuya, Hosokawa, Mayuko, Asahi, Toru
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601046/
https://www.ncbi.nlm.nih.gov/pubmed/37901497
http://dx.doi.org/10.1021/acsomega.3c05224

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601046/
https://www.ncbi.nlm.nih.gov/pubmed/37901497
http://dx.doi.org/10.1021/acsomega.3c05224

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