张智强 - 郑州轻工业大学 - 材料与化学工程学院

个人简介

一、个人情况张智强，男，1978年1月出生，河南省郑州市人，理学博士，讲师，硕士生导师。主要从事计算化学方向研究工作，主要涉及密度泛函理论方法、量子化学从头算软件开发、催化反应机理等方面的研究。密度泛函理论方法的研究主要通过构造外部势能泛函作为试探波函数，对试探波函数进行变分处理，得到原子分子体系薛定谔方程的近似解。量子化学从头算软件开发，使用C语言编写程序，实现上述的变分处理，以期获得通用性的量子化学计算软件。催化反应机理主要关注的是CO2的催活化反应，使用密度泛函理论模拟反应历程，揭示反应机理，为设计高效催化剂提供理论依据。迄今共发表SCI论文20余篇，参编物理化学教材一部，获得国家授权发明专利一件，获得河南省教育系统教学技能大奖赛个人三等奖，获得河南省教育厅优秀论文奖一等奖一项（第一完成人）。二、教育背景 1997.09-2001.07 郑州大学化学专业，获理学学士学位； 2001.09-2004.07 中国科技大学物理化学专业，获理学硕士学位； 2004.09-2007.11 香港城市大学化学专业，获理学博士学位；三、工作经历 2008.06-2011.09 广州医学院，讲师； 2011.10-至今郑州轻工业学院，讲师

研究领域

密度泛函理论方法研究；量子化学从头算软件开发；CO2催化活化机理研究。

近期论文

查看导师最新文章（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

Xu, Liancai; Wang, Guoqing; Jiang, Ling; Chen, Junli; Huang, Gailing; Zhang, Zhiqiang ,(*)Distinguishing Liquid from Solid by Atom Transport Coefficient Distribution: Predicting Melting Point of Ionic Liquids as an Example , ChemistrySelect, 2017.4.13, 2(11): 3236~3248 Zhang, Zhiqiang; Xu, Liancai (*); Feng, Wenkai, Intermolecular proton transfer in cyclic carbonate synthesis from epoxide and carbon dioxide catalyzed by azaphosphatranes: a DFT mechanistic study, RSC Advances, 2015, 5 (16): 12382~12386 Zhang, Zhiqiang(*) ; Xu, Liancai; Wang, Guoqing; Shao, Chen; Jiang, Ling, The development and validation of a pseudoatoms approach for combined quantum mechanics and molecular mechanics calculations of polypeptide, Computational and Theoretical Chemistry, 2014.9.1, 1043: 38~46 Zhang, Zhiqiang(*); Xu, Liancai; Cheung, Hon-Yeung (*),The inhibitory effect of helenalin on telomerase activity is attributed to the alkylation of the CYS445 residue: Evidence from QM/MM simulations , Journal of Molecular Graphics and Modelling, 2014.6, 51: 97~103 Zhang，Zhi Qing, Chan G. K. L., Li J. L., Fong W. F. and *Cheung H. Y., Molecular interaction between andrographolide and glutathione follows second order kinetics, Chem. Pharm. Bull., 2008, 56(9): 1229-1233. Zhang, Zhi Qiang; Chow, Raymond Kwok Kei; Zhou, Hong Wei; Li, Jie Liang; Cheung, Hon-Yeung(*), An ab initio study on the structure-cytotoxicity relationship of terpenoid lactones based on the Michael reaction between their pharmacophores and L-cysteine-methylester(-1) , Journal of Theoretical and Computational Chemistry, 2008.6, 7(3): 347~356 Wang, Yu-hua ; Wang, Wei-hua ; Xu, Liancai; Zhang, Zhiqiang; Li, Ping(*), Study of the glass transition temperature and the mechanical properties of PET/modified silica nanocomposite by molecular dynamics simulation, European Polymer Journal, 2016.2, 75: 36~45 Zhang Y. X., *Qu X., Yu J. P., Xu L. C., Zhang Z. Q., Hong H. and Liu C. S., C-13 NMR aided design of molecularly imprinted adsorbents for selectively preparative separation of erythromycin, J. Mater. Chem. B, 2014, 2(10): 1390-1399. Li J. L., *Cheung H. Y., Zhang Z. Q., Chan G. K. L. and Fong W. F., Andrographolide induces cell cycle arrest at G2/M phase and cell death in HepG2 cells via alteration of reactive oxygen species, Eur. J. Pharmacol., 2007, 568(1-3): 31-44.