Computational Design of Stable and Highly Ion-conductive Materials using Multi-objective Bayesian Optimization: Case Studies on Diffusion of Oxygen and Lithium

Masayuki Karasuyama, Hiroki Kasugai, Tomoyuki Tamura +1

Ion-conducting solid electrolytes are widely used for a variety of purposes. Therefore, designing highly ion-conductive materials is in strongly demand. Because of advancement in c…