Accelerating the Search for New Solid Electrolytes: Exploring Vast Chemical Space with Machine Learning-Enabled Computational Calculations
Jongseung Kim,
Dong Hyeon Mok,
Heejin Kim
et al.
Abstract:Discovering new solid electrolytes (SEs) is essential
to achieving
higher safety and better energy density for all-solid-state lithium
batteries. In this work, we report machine learning (ML)-assisted
high-throughput virtual screening (HTVS) results to identify new SE
materials. This approach expands the chemical space to explore by
substituting elements of prototype structures and accelerates an evaluation
of properties by applying various ML models. The screening results
in a few candidate materials, which a… Show more
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