Application of DFT-based machine learning for developing molecular electrode materials in Li-ion batteries

In this study, we utilize a density functional theory-machine learning framework to develop a high-throughput screening method for designing new molecular electrode materials. For this purpose, a density functional theory modeling approach is employed to predict basic quantum mechanical quantities s...

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Detalles Bibliográficos
Autores principales: Allam, Omar, Cho, Byung Woo, Kim, Ki Chul, Jang, Seung Soon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9090775/
https://www.ncbi.nlm.nih.gov/pubmed/35558035
http://dx.doi.org/10.1039/c8ra07112h

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9090775/
https://www.ncbi.nlm.nih.gov/pubmed/35558035
http://dx.doi.org/10.1039/c8ra07112h

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