Qian Wang, Fangling Yang, Yuhang Wang, Di Zhang, Ryuhei Sato, Linda Zhang, Eric Jianfeng Cheng, Yigang Yan, Yungui Chen, Kazuaki Kisu, Shin-ichi Orimo, Hao Li
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Outside Front Cover: Unraveling the Complexity of Divalent Hydride Electrolytes in Solid-State Batteries via a Data-Driven Framework with Large Language Model (Angew. Chem. 25/2025)
By integrating large language models, big data analytics, and ab initio metadynamics simulations, Hao Li and co-workers developed a powerful AI-driven framework that unravels previously hidden ion migration pathways in hydride-based solid-state electrolytes (SSEs) (e202506573). This integrative approach enables accurate prediction and efficient screening of high-performance SSEs, paving the way for next-generation multivalent solid-state batteries.
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