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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| 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 |