Composition Based Oxidation State Prediction of Materials Using Deep Learning Language Models

Oxidation states (OS) are the charges on atoms due to electrons gained or lost upon applying an ionic approximation to their bonds. As a fundamental property, OS has been widely used in charge‐neutrality verification, crystal structure determination, and reaction estimation. Currently, only heuristi...

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Detalles Bibliográficos
Autores principales: Fu, Nihang, Hu, Jeffrey, Feng, Ying, Morrison, Gregory, zur Loye, Hans‐Conrad, Hu, Jianjun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2023
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10558692/
https://www.ncbi.nlm.nih.gov/pubmed/37551059
http://dx.doi.org/10.1002/advs.202301011

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10558692/
https://www.ncbi.nlm.nih.gov/pubmed/37551059
http://dx.doi.org/10.1002/advs.202301011

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