商城中文主页--论文成果

电子邮箱：cshang@fudan.edu.cn
所在单位：化学系
学历：研究生毕业
办公地点：复旦大学江湾校区化学楼A3018
联系方式：021-31249136
学位：博士学位
职称：教授
在职信息：在职
毕业院校：复旦大学
博士生导师
硕士生导师

论文成果

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[1] Machine-learning atomic simulation for heterogeneous catalysis npj Computational Materials, 2023, 9(1):
[2] Room-Temperature CO Oxidative Coupling for Oxamide Production over Interfacial Au/ZnO Catalysts ACS Catalysis, 2023, 13(1): 735-743
[3] 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
[4] Resolving Activation Entropy of CO Oxidation under the Solid-Gas and Solid-Liquid Conditions from... ACS Catalysis, 2022, 12(10): 6265-6275
[5] In SituActive Site for Fe-Catalyzed Fischer-Tropsch Synthesis:Recent Progress and Future Challeng... Journal of Physical Chemistry Letters, 2022, 13(15): 3342-3352
[6] Methanol Synthesis from CO2/CO Mixture on Cu-Zn Catalysts from Microkinetics-Guided Machine Learn... JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2022, 144(29): 13401-13414
[7] Stable All-Solid-State Lithium Metal Batteries Enabled by Machine Learning Simulation Designed Ha... NANO LETTERS, 2022, 22(6): 2461-2469
[8] 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
[9] Automated search for optimal surface phases (ASOPs) in grand canonical ensemble powered by machin... JOURNAL OF CHEMICAL PHYSICS, 2022, 156(9):
[10] Artificial intelligence pathway search to resolve catalytic glycerol hydrogenolysis selectivity Chemical Science, 2022, 13(27): 8148-8160
[11] Selectivity control in alkyne semihydrogenation: Recent experimental and theoretical progress CHINESE JOURNAL OF CATALYSIS, 2022, 43(8): 1991-2000
[12] Thermodynamics and Catalytic Activity of Ruthenium Oxides Grown on Ruthenium Metal from a Machine... Journal of Physical Chemistry C, 2021, 125(31): 17088-17096
[13] 自动化势能面搜索方法新进展中国科学. 化学, 2013, 43(12): 1640-1653
[14] 随机势能面行走方法在分子晶体结构预测中的应用中国化学会第30届学术年会摘要集-第十八分会：电子结构理论方法的发展与应用, 2016,
[15] Massively parallelization strategy for material simulation using high-dimensional neural network ... JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 40(10): 1091-1096

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