Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties

Polymer electrolytes are promising candidates for the next generation lithium-ion battery technology. Large scale screening of polymer electrolytes is hindered by the significant cost of molecular dynamics (MD) simulation in amorphous systems: the amorphous structure of polymers requires multiple, r...

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Detalles Bibliográficos
Autores principales: Xie, Tian, France-Lanord, Arthur, Wang, Yanming, Lopez, Jeffrey, Stolberg, Michael A., Hill, Megan, Leverick, Graham Michael, Gomez-Bombarelli, Rafael, Johnson, Jeremiah A., Shao-Horn, Yang, Grossman, Jeffrey C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9197847/
https://www.ncbi.nlm.nih.gov/pubmed/35701416
http://dx.doi.org/10.1038/s41467-022-30994-1

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