Accelerating materials discovery with Bayesian optimization and graph deep learning
Yunxing Zuo, Mingde Qin, Chi Chen, Weike Ye, Xiangguo Li, Jian Luo, Shyue Ping Ong
Topics & Concepts
BottleneckBayesian optimizationSpark plasma sinteringMaterials scienceDensity functional theoryComputer scienceCrystal (programming language)AlgorithmStatistical physicsArtificial intelligenceSinteringPhysicsComputational chemistryChemistryComposite materialProgramming languageEmbedded systemMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyInorganic Chemistry and Materials