RESEARCH PAPER · Chinese Journal of Chemical Engineering · 2026
Data-efficient and interpretable machine learning for iridium-catalyzed methanol carbonylation: Ru-enabled operating windows and process-ready guidance
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Clustering characteristics of the top-position initial hydrogen relaxation trajectory and the steady-state hydrogen adsorption free energy in high-entropy alloys: a machine learning-coupled density functional theory
SSRN Electronic Journal · 2026-01-01
Xiaokun Zhou, Dongmei Huang, Yumao Zhou, Jiacheng Xie, Jianbo Hu, Zengxi Wei, Shuanglaing Zhao
Read original paper ↗ ·Structure–efficiency relationship of iridium catalysts for methanol carbonylation: A combined DFT and machine learning study
Molecular Catalysis · 2026-07-21
Yanxun Wu, Xiaokun Zhou, Linhan Xie, Yue Li, Zengxi Wei, Peng Xie, Shuangliang Zhao
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