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Accelerating 2D MXene catalyst discovery for the hydrogen evolution reaction by computer-driven workflow and an ensemble learning strategy

Xiao‐Xu Wang, Changxin Wang, Shinan Ci, Yuan Ma, Tong Liu, Lei Gao, Ping Qian, Chunlin Ji, Yanjing Su

2020Journal of Materials Chemistry A127 citationsDOI

Abstract

Combining high-throughput calculation workflow with a machine learning strategy to accelerate 2D MXene HER catalyst discovery.

Topics & Concepts

WorkflowThroughputCatalysisComputer scienceArtificial intelligenceChemistryDatabaseOperating systemWirelessBiochemistryMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques2D Materials and Applications
Accelerating 2D MXene catalyst discovery for the hydrogen evolution reaction by computer-driven workflow and an ensemble learning strategy | Litcius