Discovering solid electrolytes through the analysis of machine-learned potential energy surfaces

Artem Maevskiy, Alexandra Carvalho, Emil Sataev, Volha Turchyna, Keian Noori, Aleksandr Rodin, A. H. Castro Neto, Andrey E Ustyuzhanin

Keywords: Solid electrolyte materials, Ionic conductivity, Potential energy surface, Materials prediction

TL;DR: We use machine learning to predict solid electrolyte materials for solid-state batteries, identifying promising candidates like LiB3​H8​ with high ionic conductivity.

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Submission Number: 214