Graph Neural Network Guided Evolutionary Search of Grain Boundaries in 2D Materials

[Image: see text] Grain boundaries (GBs) in two-dimensional (2D) materials are known to dramatically impact material properties ranging from the physical, chemical, mechanical, electronic, and optical, to name a few. Predicting a range of physically realistic GB structures for 2D materials is critic...

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Detalles Bibliográficos
Autores principales: Zhang, Jianan, Koneru, Aditya, Sankaranarayanan, Subramanian K. R. S., Lilley, Carmen M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10141246/
https://www.ncbi.nlm.nih.gov/pubmed/37040261
http://dx.doi.org/10.1021/acsami.3c01161

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10141246/
https://www.ncbi.nlm.nih.gov/pubmed/37040261
http://dx.doi.org/10.1021/acsami.3c01161

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