Strategies for fitting accurate machine-learned inter-atomic potentials for solid electrolytes

Ion transport in materials is routinely probed through several experimental techniques, which introduce variability in reported ionic diffusivities and conductivities. The computational prediction of ionic diffusivities and conductivities helps in identifying good ionic conductors, and suitable soli...

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Bibliographic Details
Main Authors: Juefan Wang, Abhishek A Panchal, Pieremanuele Canepa
Format: Article
Language:English
Published: IOP Publishing 2023-01-01
Series:Materials Futures
Subjects:
Online Access:https://doi.org/10.1088/2752-5724/acb506