个人简介
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-2022年6月 复旦大学 青年研究员
2022年6月至今 复旦大学 教授
获奖情况
2021 国家自然科学优秀青年基金
2020 复旦大学卓学人才计划
2019 上海市自然科学奖一等奖(第三完成人)
2019 复旦大学青年教师教学竞赛三等奖
2016 上海市浦江人才计划
2015 上海市优秀博士学位论文
2012 唐敖庆奖学金
2011 教育部博士学术新人奖
研究领域
原子模拟方法开发
计算化学软件开发
大规模并行算法设计
催化材料结构预测
理论模拟催化研究
近期论文
查看导师最新文章
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Liu,Q.-Y.; Shang, C*, Liu, Z.-P.*, “In situ Active Site for CO Activation in Fe-catalyzed Fischer-Tropsch Synthesis from Machine Learning” ,J. Am. Chem. Soc. 143, 11109?11120 (2021).
Peng, Y, Shang, C*, Liu, Z.-P.*, “The Dome of Gold Nanolized for Catalysis” ,Chem. Sci. 12, 5664-5671 (2021).
Kang, P.-L.; Shang, C.*, Liu, Z.-P.* Recent Implementations in LASP3.0: Global Neural Network Potential with Multiple Elements and Better Long-Range Description. Chin. J. Chem. Phys. 34, 583-590 (2021).
Kang, P.-L., Shang, C.*, Liu, Z.-P.* Large-Scale Atomic Simulation via Machine Learning Potentials Constructed by Global Potential Energy Surface Exploration. Acc. Chem. Res. 53, 2119-2129 (2020).
(Book) Shang, C. & Liu, Z.-P.* Stochastic Surface Walking Method and Applications to Real Materials in Handbook of Materials Modeling: Applications: Current and Emerging Materials (eds Wanda Andreoni & Sidney Yip) Springer, Cham, (2019).
Kang, P.-L., Shang, C.*, Liu, Z.-P.* Glucose to 5-Hydroxymethylfurfural: Origin of Site-Selectivity Resolved by Machine Learning Based Reaction Sampling. J. Am. Chem. Soc. 141, 20525-20536 (2019).
Huang, S.-D., Shang, C.*, Kang, P.-L., Zhang, X.-J.; Liu, Z.-P.* LASP: Fast global potential energy surface exploration. WIREs Comput Mol Sci 9, e1415 (2019).
Shang, C.*, Huang, S.-D., Liu, Z.-P.* Massively parallelization strategy for material simulation using high-dimensional neural network potential. J. Comput. Chem. 40, 1091-1096 (2019).
Shang, C.*, Zhang, X.-J., Liu, Z.-P.* Crystal phase transition of urea: what governs the reaction kinetics in molecular crystal phase transitions. Phys. Chem. Chem. Phys. 19, 32125-32131 (2017).
Shang, C.*, Whittleston, C. S.*, Sutherland-Cash, K. H.* , Wales, D. J.* Analysis of the Contrasting Pathogenicities Induced by the D222G Mutation in 1918 and 2009 Pandemic Influenza A Viruses. J. Chem. Theory Comput. 11, 2307-2314 (2015).