Uncertainty-Quantified Hybrid Machine Learning/Density Functional Theory High Throughput Screening Method for Crystals

Juhwan Noh, Geun Ho Gu, Sungwon Kim, Yousung Jung. Uncertainty-Quantified Hybrid Machine Learning/Density Functional Theory High Throughput Screening Method for Crystals. Journal of Chemical Information and Computer Sciences, 60(4):1996-2003, 2020. [doi]

Abstract

Abstract is missing.