Accelerating materials discovery using integrated deep machine learning approaches
Weiyi Xia, Ling Tang, Huaijun Sun, Chao Zhang, Kai‐Ming Ho, Gayatri Viswanathan, Kirill Kovnir, Cai‐Zhuang Wang
Abstract
Our work introduces an innovative deep machine learning framework to significantly accelerate novel materials discovery, as demonstrated by its application to the La–Si–P system where new ternary and quaternary compounds were successfully identified.
Topics & Concepts
Deep learningComputer scienceArtificial intelligenceTernary operationMachine learningProgramming languageMachine Learning in Materials ScienceInorganic Chemistry and MaterialsX-ray Diffraction in Crystallography