logo
ResearchBunny Logo
Abstract
This paper proposes a graph neural network model to predict the synthesizability of perovskites, a crucial material in various applications. The model achieves a high out-of-sample true positive rate (0.957), outperforming empirical rule-based methods. Validation shows the model accurately identifies previously synthesized perovskites and excludes those not yet reported. Unlike previous methods limited to metal oxides, this model is generalizable across various perovskite classes. The authors apply the model to identify synthesizable candidates for Li-rich ion conductors and metal halide optical materials.
Publisher
npj Computational Materials
Published On
Jul 20, 2022
Authors
Geun Ho Gu, Jidon Jang, Juhwan Noh, Aron Walsh, Yousung Jung
Tags
graph neural network
synthesizability
perovskites
material science
ion conductors
optical materials
machine learning
Listen, Learn & Level Up
Over 10,000 hours of research content in 25+ fields, available in 12+ languages.
No more digging through PDFs—just hit play and absorb the world's latest research in your language, on your time.
listen to research audio papers with researchbunny