办公地点:上海市杨浦区淞沪路2005号 复旦大学江湾校区化学楼 A3018室

  • 研究兴趣

  • 学术任职

  • 获奖情况

  • 学习工作经历

  • 授课情况

  • 代表性论文或专著

  • 势能面搜索,计算方法发展,理论催化

  • 2011 教育部博士学术新人奖

  • 2012 唐敖庆奖学金

  • 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

  1. C Shang, CS Whittleston, KH Sutherland-Cash and DJ Wales Analysis of the Contrasting Pathogenicities Induced by the D222G Mutation in 1918 and 2009 Pandemic Influenza A Viruses. J. Chem. Theor. Comput. 2015,11,2307-2314

  2. C Shang, W-N Zhao, Z-P Liu Searching for new TiO2 crystal phases with better photoactivity. J. Phys. Condens. Matter. 2015 27, 134203

  3. How to make a porphyrin flip: dynamics of asymmetric porphyrin oligomers Phys. Chem. Chem. Phys. 2015,17,27094

  4. C Shang, DJ Wales Communication: optimal parameters for basin-hopping global optimization based on Tsallis statistics. J. Chem. Phys.,2014,141, 071101

  5. C Shang, X-J Zhang, Z-P Liu Stochastic surface walking method for crystal structure and phase transition pathway prediction. Phys. Chem. Chem. Phys.,2014,16, 17845

  6. C Shang, Z-P Liu Stochastic surface walking method for structure prediction and pathway searching. J. Chem. Theor. Comput.,2013,9, 1838

  7. C Shang, Z-P Liu Constrained Broyden Dimer Method with Bias Potential for Exploring Potential Energy Surface of Multistep Reaction Process. J. Chem. Theor. Comput.,2012,8, 2215

  8. C Shang, Z-P Liu Origin and activity of gold nanoparticles as aerobic oxidation catalysts in aqueous solution. J. Am. Chem. Soc.,2011 133, 9938,

  9. C Shang, Z-P Liu Constrained broyden minimization combined with the dimer method for locating transition state of complex reactions. J. Chem. Theor. Comput.,2010,6, 1136

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