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12 May 2025 SERC Institute of High Performance Computing  Unveiling high-performance single-atom alloy catalysts for alkane dehydrogenation through DFT and machine learning synergy Haisong Feng, Zhen Ge, Yuan Deng, Pengxin Pu, Shiquan Zhao, Xin Song, Hao Yuan, Yaze Wu, Jing Yang, Yubing Si, Antonio Politano, Xin Zhang, Yong-Wei Zhang Journal of Catalysis
24 Nov 2023 SERC Institute of High Performance Computing  Designing Efficient Single-Atom Alloy Catalysts for Selective C═O Hydrogenation: A First-Principles, Active Learning and Microkinetic Study Haisong Feng, Meng Zhang, Zhen Ge, Yuan Deng, Pengxin Pu, Wenyu Zhou, Hao Yuan, Jing Yang, Feng Li, Xin Zhang, Yong-Wei Zhang ACS Applied Materials & Interfaces
24 Nov 2023 SERC Institute of High Performance Computing  Designing Efficient Single-Atom Alloy Catalysts for Selective C═O Hydrogenation: A First-Principles, Active Learning and Microkinetic Study Haisong Feng, Meng Zhang, Zhen Ge, Yuan Deng, Pengxin Pu, Wenyu Zhou, Hao Yuan, Jing Yang, Feng Li, Xin Zhang, Yong-Wei Zhang ACS Applied Materials & Interfaces