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• Machine-learning atomic simulation for heterogeneous catalysis .npj Computational Materials .2023 ,9 (1)
• Room-Temperature CO Oxidative Coupling for Oxamide Production over Interfacial Au/ZnO Catalysts .ACS Catalysis .2023 ,13 (1) :735-743
• 商城. 基于机器学习势函数的原子模拟软件的开发及应用 .硅酸盐学报 .2023 ,51 (02) :476-487
• Resolving Activation Entropy of CO Oxidation under the Solid-Gas and Solid-Liquid Conditions from Machine Learning Simulation .ACS Catalysis .2022 ,12 (10) :6265-6275
• In SituActive Site for Fe-Catalyzed Fischer-Tropsch Synthesis:Recent Progress and Future Challenges br .Journal of Physical Chemistry Letters .2022 ,13 (15) :3342-3352
• Methanol Synthesis from CO2/CO Mixture on Cu-Zn Catalysts from Microkinetics-Guided Machine Learning Pathway Search .JOURNAL OF THE AMERICAN CHEMICAL SOCIETY .2022 ,144 (29) :13401-13414
• Stable All-Solid-State Lithium Metal Batteries Enabled by Machine Learning Simulation Designed Halide Electrolytes .NANO LETTERS .2022 ,22 (6) :2461-2469
• 商城. 调控炔烃半氢化反应的催化选择性:实验和理论的最新进展（英文） .CHINESE JOURNAL OF CATALYSIS .2022 ,43 (08) :1991-2000
• Automated search for optimal surface phases (ASOPs) in grand canonical ensemble powered by machine learning .JOURNAL OF CHEMICAL PHYSICS .2022 ,156 (9)
• Artificial intelligence pathway search to resolve catalytic glycerol hydrogenolysis selectivity .Chemical Science .2022 ,13 (27) :8148-8160

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