Predictions of new solid-state Li-ion conductors are challenging due to the diverse chemistries and compositions involved. Here the authors combine unsupervised learning techniques and molecular dynamics simulations to discover new compounds with high Li-ion conductivity.

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molecular dynamics simulations unsupervised learning techniques liion conductivity

Ying Zhang,Xingfeng He,Zhiqian Chen,Qiang Bai,Adelaide M. Nolan,Charles A. Roberts,Debasish Banerjee,Tomoya Matsunaga,Yifei Mo,Chen Ling,.Unsupervised discovery of solid-state lithium ion conductors. 10 (1),.

Ying Zhang,Xingfeng He,Zhiqian Chen,Qiang Bai,Adelaide M. Nolan,Charles A. Roberts,Debasish Banerjee,Tomoya Matsunaga,Yifei Mo,Chen Ling,"Unsupervised discovery of solid-state lithium ion conductors" 10

Ying Zhang,Xingfeng He,Zhiqian Chen,Qiang Bai,Adelaide M. Nolan,Charles A. Roberts,Debasish Banerjee,Tomoya Matsunaga,Yifei Mo,Chen Ling,"Unsupervised discovery of solid-state lithium ion conductors"