Machine-learning-assisted high-throughput computational screening of high performance metal–organic frameworks
Zenan Shi, Wenyuan Yang, Xiaomei Deng, Chengzhi Cai, Yaling Yan, Hong Liang, Zili Liu, Zhiwei Qiao
Abstract
The combination of machine learning and high-throughput computation for the screening of MOFs with high performance.
Topics & Concepts
ThroughputHigh-throughput screeningComputer scienceComputationSupercomputerArtificial intelligenceMetal-organic frameworkMachine learningComputer architectureParallel computingBioinformaticsChemistryTelecommunicationsBiologyAlgorithmWirelessAdsorptionOrganic chemistryMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceAdvanced Nanomaterials in Catalysis