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AI-accelerated discovery of solid electrolytes

Paper Authors:

Chi Chen,

Dan Thien Nguyen,

Shannon J. Lee,

Nathan A. Baker,

Ajay S. Karakoti,

Linda Lauw,

Craig Owen,

Karl T. Mueller,

Brian A. Bilodeau,

Vijayakumar Murugesan,

Matthias Troyer

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Key Details

Combined AI models and cloud HPC to screen 32 million candidates

Focused on discovering new solid electrolytes for batteries

Experimentally validated top candidates, the NaxLi3−xYCl6 series

Showcased integration of AI and HPC for accelerated discovery

AI generated summary

AI-accelerated discovery of solid electrolytes

This study demonstrates an end-to-end workflow combining AI models and cloud computing to rapidly navigate over 32 million materials candidates. It focuses the search on solid electrolytes for batteries, identifying 18 promising candidates and experimentally validating the top hits.

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