Publication date | Communities | Collections | Article title | Author(s) | Journal/Conference |
---|---|---|---|---|---|
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 (Pending publish) | 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 |