商城

男， 复旦大学化学系， 教授/研究员/教授级高工或同等级别

学习/工作经历

2004年9月-2008年7月 复旦大学 学士

2008年9月-2013年7月 复旦大学 博士

2013年9月-2015年9月 英国剑桥大学 博士后

2015年10月-至今 复旦大学 青年研究员、教授

研究领域和兴趣

理论模拟与计算化学

主要业绩

主要从事理论模拟方法及软件的开发，并应用于材料结构模拟、非均相催化机理研究等领域。发表科研论文及专著60余篇。在发展模拟方法与开发计算软方面，开发了随机势能面行走方法（SSW方法，专利号ZL 201210421939.6）。2018年开发了具有自主知识产权的“基于神经网络势函数的大尺度原子模拟软件”（LASP），软件用户已经在包括Science、Nature、J. Am. Chem. Soc.在内的国际著名期刊发表科研论文100多篇。于2021年获得基金委优秀青年基金资助。担任中国化学会计算(机)化学专业委员会委员。

代表成果

1 Yao Peng, Xia-Lan Si, Cheng Shang and Zhi-Pan Liu, Abundance of Low-Energy Oxygen Vacancy Pairs Dictates the Catalytic Performance of Cerium-Stabilized Zirconia, Journal of the American Chemical Society, 2024, 146, 10822-10832
2 Cheng Shang and Zhi-Pan Liu, Chapter 14 - Constructing machine learning potentials with active learning, Quantum Chemistry in the Age of Machine Learning, 2023, Elsevier,
3 F. Li, X. Cheng, G. Lu, Y. C. Yin, Y. C. Wu, R. Pan, J. D. Luo, F. Huang, L. Z. Feng, L. L. Lu, T. Ma, L. Zheng, S. Jiao, R. Cao, Z. P. Liu, H. Zhou, X. Tao, C. Shang and H. B. Yao, Amorphous Chloride Solid Electrolytes with High Li-Ion Conductivity for Stable Cycling of All-Solid-State High-Nickel Cathodes, Journal of the American Chemical Society, 2023, 145, 27774-27787
4 Pei-Lin Kang, Zheng-Xin Yang, Cheng Shang and Zhi-Pan Liu, Global Neural Network Potential with Explicit Many-Body Functions for Improved Descriptions of Complex Potential Energy Surface, Journal of Chemical Theory and Computation, 2023, 19, 7972-7981
5 Yun-Fei Shi, Pei-Lin Kang, Cheng Shang and Zhi-Pan Liu, 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, 13401-13414
6 Qian-Yu Liu, Cheng Shang and Zhi-Pan Liu, In Situ Active Site for CO Activation in Fe-Catalyzed Fischer–Tropsch Synthesis from Machine Learning, Journal of the American Chemical Society, 2021, 143, 11109-11120
7 Pei-Lin Kang, Cheng Shang and Zhi-Pan Liu, Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration, Accounts of Chemical Research, 2020, 53, 2119-2129
8 Pei-Lin Kang, Cheng Shang and Zhi-Pan Liu, Glucose to 5-Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning Based Reaction Sampling, Journal of the American Chemical Society, 2019, 141, 20525-20536
9 Si-Da Huang, Cheng Shang, Pei-Lin Kang, Xiao-Jie Zhang and Zhi-Pan Liu, LASP: Fast global potential energy surface exploration, Wiley Interdisciplinary Reviews: Computational Molecular Science, 2019, 9, e1415
10 Cheng Shang and Zhi-Pan Liu, Stochastic Surface Walking Method and Applications to Real Materials, Handbook of Materials Modeling: Applications: Current and Emerging Materials, 2019, Springer International Publishing, Cham

*以上信息由高级会员个人更新和维护。