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Topological representations of crystalline compounds for the machine-learning prediction of materials properties

Accurate theoretical predictions of desired properties of materials play an important role in materials research and development. Machine learning (ML) can accelerate the materials design by building a model from input data. For complex datasets, such as those of crystalline compounds, a vital issue...

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Detalles Bibliográficos
Autores principales: Jiang, Yi, Chen, Dong, Chen, Xin, Li, Tangyi, Wei, Guo-Wei, Pan, Feng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8528346/
https://www.ncbi.nlm.nih.gov/pubmed/34676106
http://dx.doi.org/10.1038/s41524-021-00493-w

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