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论文成果 More>>

• Machine-learning atomic simulation for heterogeneous catalysis -npj Computational Materials -2023/01/01 -9
• Room-Temperature CO Oxidative Coupling for Oxamide Production over Interfacial Au/ZnO Catalysts -ACS Catalysis -2023/01/01 -13
• 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 -2023/01/01 -51
• Resolving Activation Entropy of CO Oxidation under the Solid-Gas and Solid-Liquid Conditions from Machine Learning Simulation -ACS Catalysis -2022/01/01 -12
• In SituActive Site for Fe-Catalyzed Fischer-Tropsch Synthesis:Recent Progress and Future Challenges br -Journal of Physical Chemistry Letters -2022/01/01 -13
• Methanol Synthesis from CO2/CO Mixture on Cu-Zn Catalysts from Microkinetics-Guided Machine Learning Pathway Search -Journal of the American Chemical Society -2022/01/01 -144
• Stable All-Solid-State Lithium Metal Batteries Enabled by Machine Learning Simulation Designed Halide Electrolytes -Nano Letters -2022/01/01 -22
• 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 -2022/01/01 -43
• Automated search for optimal surface phases (ASOPs) in grand canonical ensemble powered by machine learning -Journal of Chemical Physics -2022/01/01 -156
• Artificial intelligence pathway search to resolve catalytic glycerol hydrogenolysis selectivity -Chemical Science -2022/01/01 -13

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