研究领域
主要研究兴趣：超支化自组装多尺度模拟软件的开发和研究；生物体系可极化力场的开发；小分子玻璃化转变行为的计算机模拟研究。
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Yong Liu‡, Chunyang Yu‡, Haibao Jin, Binbin Jiang, Xinyuan Zhu, Yongfeng Zhou*, Zhongyuan Lu*, Deyue Yan. A Supramolecular Janus Hyperbranched Polymer and Its Photoresponsive Self-Assembly of Vesicles with Narrow Size Distribution. J. Am. Chem. Soc. 2013, 135, 4765-4770.
Chun-Yang Yu, Yang Yu, Li-Dong Gong*, Zhong-Zhi Yang. Mg2+/Ca2+ binding to DNA bases: A quantum chemical method and ABEEMσπ/MM fluctuating charge model study. Theor. chem. Acc. 2012, 131, 1098.
Chun-Yang Yu, Zhong-Zhi Yang*. A Systemic Investigation of Hydrogen Peroxide Clusters (H2O2)n (n=1-6) and Liquid-State Hydrogen Peroxide: Based on Atom-Bond Electronegativity Equalization Method Fused into Molecular Mechanics and Molecular Dynamics. J. Phys. Chem. A 2011, 115, 2615-2626.
Chun-Yang Yu, Zhong-Zhi Yang*. Theoretical study of hydrogen peroxide interacting with DNA base and DNA base pair in terms of ab initio method and ABEEMσπ/MM fluctuating charge potential model. Comput. Theor. Chem. 2011, 967, 26-36.
Chun-Yang Yu, Li-Dong Gong, Zhong-Zhi Yang*. Theoretical study on the hydration of hydrogen peroxide in terms of ab initio method and atom-bond electronegativity equalization method fused into molecular mechanics. Front. Chem. China. 2011, 6, 287-299.
Dong-Xia Zhao, Cui Liu, Fang-Fang Wang, Chun-Yang Yu, Li-Dong Gong, Shu-Bin Liu, Zhong-Zhi Yang*. J. Chem. Theor. Comput. 2010, 6, 795-804.
Yan Liu, Fang-Fang Wang, Chun-Yang Yu, Cui Liu, Li-Dong Gong*, Zhong-Zhi Yang, Acta Phys. -Chim. Sin. 2011, 27, 379-387.
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