Accelerated strategy for fast ion conductor materials screening and optimal doping scheme exploration

Accelerated strategy for fast ion conductor materials screening and optimal doping scheme exploration

Fast ion conductor materials screening based on high-throughput calculations involves enormous computing tasks. The process usually includes structural optimization, energy calculation, charge analysis and ionic migration performance estimation. The first one involves looking for the equilibrium ato...

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Bibliographic Details
Main Authors: Yuqi Wang, Siyuan Wu, Wei Shao, Xiaorui Sun, Qiang Wang, Ruijuan Xiao, Hong Li
Format: Article
Language:English
Published: Elsevier 2022-09-01
Series:Journal of Materiomics
Subjects:
Fast ion conductor
Optimal doping scheme
Machine learning
High-throughput computation
Online Access:http://www.sciencedirect.com/science/article/pii/S2352847822000296

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http://www.sciencedirect.com/science/article/pii/S2352847822000296

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