肖红艳，副研究员，硕士生导师。主要从事（1）理论计算研究小分子光化学反应机理，在发现和证实激发态上存在roaming反应机理方面做出了开创性的工作；（2）与实验合作研究复杂光化学体系的若干问题；（3）理论计算辅助设计有机二阶非线性发色团；（4）分子动力学模拟表面活性剂在油/水界面的结构与性质等工作。已在Science, ACS Catal., J. Phys. Chem. Lett., J. Chem. Theory Comput.,Phys. Chem. Chem. Phys., Angew. Chem. Int. Ed.,Sci. China Chem.等期刊发表研究论文50余篇，多次受邀在国际和国内会议上做邀请报告和口头报告。2019年4月加入仿生智能界面科学中心，研究重点转为分子动力学模拟研究限域体系的结构与性质。
1. Jie-Yun Wu*, Wen Wang, Nan Wang, Juan He, Guo-Wei Deng*, Zhong-Hui Li, Xiao-Ling Zhang, Hongyan Xiao* and Kai-Xin Chen. Structure–property analysis of julolidine-based nonlinear optical chromophores for the optimization of microscopic and macroscopic nonlinearity. Phys. Chem. Chem. Phys. 2018, 20, 23606-23615.
2. Tao Lei, Chao Zhou, Mao-Yong Huang, Lei-Min Zhao, Bing Yang, Chen Ye, Hongyan Xiao, Qing-Yuan Meng, Vaidhyanathan Ramamurthy, Chen-Ho Tung and Li-Zhu Wu. General and efficient intermolecular [2+2] photodimerization of chalcones and cinnamic acid derivatives in solution through visible light catalysis. Angew. Chem. Int. Ed. 2017, 56, 15407-15410.
3. Hongyan Xiao, Yusuke Kobayashi, Yoshiji Takemoto, and Keiji Morokuma. Proton transfer mechanism of organocatalyzed isomerization of alkynoates into allenoates: enantioselectivity and reversibility. A DFT study. ACS Catal. 2016, 6, 2988-2996.
4. Hongyan Xiao, Satoshi Maeda and Keiji Morokuma. Theoretical insight into the wavelength-dependent photodissociation mechanism of nitric acid. Phys. Chem. Chem. Phys. 2016, 18, 24582-24590.
5. Hongyan Xiao, Satoshi Maeda and Keiji Morokuma. Global ab initio potential energy surfaces for low-lying doublet states of NO3. J. Chem. Theory Comput. 2012, 8, 2600-2605.
6. Michael P. Grubb, Michelle L. Warter, Hongyan Xiao, Satoshi Maeda, Keiji Morokuma and Simon W. North. No straight path: roaming in both ground- and excited-state photolytic channels of NO3 → NO + O2. Science 2012, 335, 1075-1078. (Highlighted in Science 2012, 335 1054-1055; Chemical & Engineering News 2012, 90, 42-43；Nat. Chem. 2012, 4, 337).
7. Hongyan Xiao, Satoshi Maeda and Keiji Morokuma. Excited-state roaming dynamics in photolysis of a nitrate radical. J. Phys. Chem. Lett. 2011, 2, 934-938. (Highlighted in Nat. Chem. 2011, 3, 504-505)
8. Huan-Quan Sun, Hongyan Xiao*, and Xin-Hou Liu*. Structural properties of hydroxyl-substituted alkyl benzenesulfonates at the water/vapor and water/decane interfaces. Sci. China Chem. 2011, 54, 1078-1085.
9. Hongyan Xiao, Zhen Zhen, Huan-Quan Sun, Xu-Long Cao, Zhen-Quan Li, Xin-Wang Song, Xiao-Hong Cui and Xin-Hou Liu. Molecular dynamics simulation of anionic surfactant at the water/n-alkane interface. Acta Phys. -Chim. Sin. 2010, 26, 422-428.
10. Hongyan Xiao, Zhen Zhen, Huan-Quan Sun, Xu-Long Cao, Zhen-Quan Li, Xin-Wang Song, Xiao-Hong Cui and Xin-Hou Liu. Molecular dynamics study of the water/n-alkane interface. Sci. China Chem. 2010, 53, 945-949.
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