基本信息

杨明晖 男 博导 精密测量科学与技术创新研究院
电子邮件:yangmh@wipm.ac.cn
通信地址:湖北省武汉市武昌区小洪山西30号
邮政编码:430071

招生信息

   
招生专业
070304-物理化学(含:化学物理)
招生方向
理论与计算化学,生物大分子模拟

教育背景

1994-09--1997-06 四川大学 博士学位
1991-09--1994-06 四川大学 硕士学位
1987-09--1991-06 四川大学 学士学位
学历
-- 研究生
学位
-- 博士

工作经历

   
工作简历
2004-09--今 中国科学院武汉物理与数学研究所 研究员
1999-12--2004-09 National University of Singapore Research Fellow
1997-09--1999-10 南京大学化学学院 博士后

出版信息

   
发表论文
[1] Combustion and Flame. 2023,   通讯作者  
[2] J. Chem. Phys.. 2023,   通讯作者  
[3] Mingjuan Yang, Tong Chemg, Rui Zheng, Hongwei Song, Minghui Yang. Ten-Dimensional Quantum Dynamics Study of H+CH3D→H2+CH2D Reaction. Chinese Journal of Chemical Physics[J]. 2022, 第 5 作者  通讯作者  35(1): 213, 
[4] Jinghui Yu, Dezhun Shan, Hongwei Song, 杨明晖. A novel hybrid machine learning model for predicting rate constants of the reactions between alkane and CH3 radical. Fuel[J]. 2022, 第 4 作者  通讯作者  322: 124150, 
[5] Hongwei Song, Weiyu Xie, Chaoyang Zhang, 杨明晖. Toward a Comprehensive Understanding of Mode-Specific Dynamics of Polyatomic Reactions: A Full-Dimensional Quantum Dynamics Study of the H + NH3 Reaction. Journal of Physical Chemistry A[J]. 2022, 第 4 作者  通讯作者  126: 663, 
[6] Yang Minghui. A Ten-Dimensional Quantum Dynamics Model for the X + YCAB 2 Reaction: Application to H + CH4 Reactio. Journal of Chemical Physics. 2020, 第 1 作者  通讯作者  
[7] Luo, Yanju, Li, Shuaibing, Zhao, Yihuan, Li, Chuan, Pang, Zhenguo, Huang, Yan, Yang, Minghui, Zhou, Liang, Zheng, Xujun, Pu, Xuemei, Lu, Zhiyun. An Ultraviolet Thermally Activated Delayed Fluorescence OLED with Total External Quantum Efficiency over 9%. ADVANCEDMATERIALS[J]. 2020, 第 7 作者  通讯作者  32(32): https://www.webofscience.com/wos/woscc/full-record/WOS:000544915200001.
[8] Lu, Junhui, Yu, Jinhui, Song, Hongwei, Yang, Minghui. Machine learning of the rate constants for the reaction between alkanes and hydrogen/oxygen atom. COMMUNICATIONS IN INFORMATION AND SYSTEMS[J]. 2019, 第 4 作者  通讯作者  19(4): 391-403, 
[9] Liu Rui, Song Hongwei, Yang Minghui. understandingrotationalmodespecificityintheo3pchd3ohcd3reactionbysimplereactantalignmentpictures. CHINESEJOURNALOFCHEMICALPHYSICS[J]. 2019, 第 3 作者32(1): 46, http://ir.wipm.ac.cn/handle/112942/20569, http://www.irgrid.ac.cn/handle/1471x/6858938, http://ir.wipm.ac.cn/handle/112942/20570.
[10] Guo, Yue, Duan, Mojie, Yang, Minghui. The Observation of Ligand-Binding-Relevant Open States of Fatty Acid Binding Protein by Molecular Dynamics Simulations and a Markov State Model. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES[J]. 2019, 第 3 作者  通讯作者  20(14): https://doaj.org/article/da51f6a57cf94ae7a704f6b656a2b69f.
[11] Yang Minghui. Tracking Ultrafast Bond Dissociation Dynamics at 0.1 A Resolution by Femtosecond Extreme Ultraviolet Absorption Spectroscopy. JPHYSCHEMLETT. 2018, 第 1 作者
[12] Yang Minghui. Theoretical Studies of Strong-Field Photoionization of Ch3I.. Chem. Phys.. 2018, 第 1 作者  通讯作者  
[13] Hu, Xixi, Yang, Minghui, Xie, Daiqian, Guo, Hua. Vibrational enhancement in the dynamics of ammonia dissociative chemisorption on Ru(0001). JOURNAL OF CHEMICAL PHYSICS[J]. 2018, 第 2 作者149(4): http://dx.doi.org/10.1063/1.5043517.
[14] Na Liu, Mojie Duan, Minghui Yang. Structural Properties of Human IAPP Dimer in Membrane Environment Studied by All-Atom Molecular Dynamics Simulations. SCIENTIFIC REPORTS[J]. 2017, 第 3 作者  通讯作者  7(1): https://doaj.org/article/0183a43688614fc2b079b7a9966999ad.
[15] Luo, Yanju, Wang, Yan, Chen, Shiqi, Wang, Ning, Qi, Yige, Zhang, Xiaogen, Yang, Minghui, Huang, Yan, Li, Ming, Yu, Junsheng, Luo, Daibing, Lu, Zhiyun. Facile Access to Twisted Intramolecular Charge-Transfer Fluorogens Bearing Highly Pretwisted Donor-Acceptor Systems Together with Readily Fine-Tuned Charge-Transfer Characters. SMALL[J]. 2017, 第 7 作者  通讯作者  13(20): http://dx.doi.org/10.1002/smll.201604113.
[16] Zhengrong Wei, Jialin Li, Lin Wang, Soo Teck See, Mark Hyunpong Jhon, Yingfeng Zhang, Fan Shi, Minghui Yang, ZhiHeng Loh. Elucidating the origins of multimode vibrational coherences of polyatomic molecules induced by intense laser fields. NATURE COMMUNICATIONS[J]. 2017, 第 8 作者8(1): https://doaj.org/article/4fd22ab46a834cb99dcae6c5f69d85bb.
[17] Yu, HuaGen, Song, Hongwei, Yang, Minghui. A rigorous full-dimensional quantum dynamics study of tunneling splitting of rovibrational states of vinyl radical C2H3. JOURNAL OF CHEMICAL PHYSICS[J]. 2017, 第 3 作者  通讯作者  146(22): https://www.webofscience.com/wos/woscc/full-record/WOS:000403373900023.
[18] Qi, Ji, Song, Hongwei, Yang, Minghui, Palma, Juliana, Manthe, Uwe, Guo, Hua. Communication: Mode specific quantum dynamics of the F + CHD3 -> HF + CD3 reaction. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 第 3 作者  通讯作者  144(17): http://dx.doi.org/10.1063/1.4948547.
[19] Xie, Changjian, Jiang, Bin, Yang, Minghui, Guo, Hua. State-to-State Mode Specificity in F + CHD3 -> HF/DF + CD3/CHD2 Reaction. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2016, 第 3 作者120(33): 6521-6528, http://ir.wipm.ac.cn/handle/112942/9589.
[20] Gao, Kaifu, Jia, Ya, Yang, Minghui. A Network of Conformational Transitions Revealed by Molecular Dynamics Simulations of the Binary Complex of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase with MgATP. BIOCHEMISTRY[J]. 2016, 第 3 作者  通讯作者  55(49): 6931-6939, http://ir.wipm.ac.cn/handle/112942/9987.
[21] Wang, Yan, Song, Hongwei, Szabo, Istvan, Czako, Gabor, Guo, Hua, Yang, Minghui. Mode-Specific S(N)2 Reaction Dynamics. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2016, 第 6 作者  通讯作者  7(17): 3322-3327, http://ir.wipm.ac.cn/handle/112942/9586.
[22] Song, Hongwei, Yang, Minghui, Guo, Hua. Communication: Equivalence between symmetric and antisymmetric stretching modes of NH3 in promoting H + NH3 -> H-2 + NH2 reaction. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 第 2 作者145(13): https://www.webofscience.com/wos/woscc/full-record/WOS:000386156200002.
[23] Jiang, Bin, Song, Hongwei, Yang, Minghui, Guo, Hua. Quantum dynamics of water dissociative chemisorption on rigid Ni(111): An approximate nine-dimensional treatment. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 第 3 作者144(16): http://ir.wipm.ac.cn/handle/112942/9360.
[24] Yang Minghui. uantum Dynamics of Polyatomic Dissociative Chemisorption on Transition Metal Surfaces: Mode Specificity and Bond Selectivity. Chem. Soc. Rev.. 2016, 第 1 作者
[25] Lu, Dandan, Qi, Ji, Yang, Minghui, Behler, Joerg, Song, Hongwei, Li, Jun. Mode specific dynamics in the H-2 + SH -> H + H2S reaction. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2016, 第 3 作者18(42): 29113-29121, http://ir.wipm.ac.cn/handle/112942/9965.
[26] Chen, Liuyang, Shao, Kejie, Chen, Jun, Yang, Minghui, Zhang, Dong H. Full-dimensional quantum dynamics study of the H-2 + C2H -> H + C2H2 reaction on an ab initio potential energy surface. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 第 4 作者  通讯作者  144(19): http://dx.doi.org/10.1063/1.4948996.
[27] Song, Hongwei, Lu, Yunpeng, Li, Jun, Yang, Minghui, Guo, Hua. Mode specificity in the OH + CHD3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 第 4 作者144(16): http://ir.wipm.ac.cn/handle/112942/9361.
[28] Duan, Mojie, Liu, Na, Zhou, Wenfang, Li, Dan, Yang, Minghui, Hou, Tingjun. Structural Diversity of Ligand-Binding Androgen Receptors Revealed by Microsecond Long Molecular Dynamics Simulations and Enhanced Sampling. JOURNAL OF CHEMICAL THEORY AND COMPUTATION[J]. 2016, 第 5 作者  通讯作者  12(9): 4611-4619, http://dx.doi.org/10.1021/acs.jctc.6b00424.
[29] Zheng Rui, Zheng Limin, Lu Yunpeng, Yang Minghui. Theoretical studies for the N2-N2O van der Waals complex: The potential energy surface, intermolecular vibrations, and rotational transition frequencies.. THE JOURNAL OF CHEMICAL PHYSICS. 2015, 第 4 作者
[30] Wang, Yan, Li, Jun, Chen, Liuyang, Lu, Yunpeng, Yang, Minghui, Guo, Hua. Mode specific dynamics of the H-2 + CH3 -> H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods. JOURNAL OF CHEMICAL PHYSICS[J]. 2015, 第 5 作者  通讯作者  143(15): http://ir.wipm.ac.cn/handle/112942/9023.
[31] Liu, Na, Yang, Minghui. An eight-dimensional quantum dynamics study of the Cl + CH4 -> HCl + CH3 reaction. JOURNAL OF CHEMICAL PHYSICS[J]. 2015, 第 2 作者  通讯作者  143(13): http://ir.wipm.ac.cn/handle/112942/8195.
[32] Yang Minghui. Time-Dependent Wave Packet Study Study of the H2 + CH3→H + CH4 Reaction. J. Chem. Phys.. 2015, 第 1 作者  通讯作者  
[33] Gao, Kaifu, He, Hongqing, Yang, Minghui, Yan, Honggao. Molecular Dynamics Simulations of the Escherichia coli HPPK Apoenzyme Reveal a Network of Conformational Transitions. BIOCHEMISTRY[J]. 2015, 第 3 作者  通讯作者  54(44): 6734-6742, http://ir.wipm.ac.cn/handle/112942/9052.
[34] Wang, Yan, Li, Jun, Guo, Hua, Yang, Minghui. A comparison study of the H + CH4 and H + SiH4 reactions with eight-dimensional quantum dynamics: normal mode versus local mode in the reactant molecule vibration. THEORETICAL CHEMISTRY ACCOUNTS[J]. 2014, 第 4 作者  通讯作者  133(10): http://ir.wipm.ac.cn/handle/112942/1365.
[35] Yang Minghui. A novel fluorescent pH probe with valuable pKa based on twisted intramolecular charge transfer mechanism ,and its applications in cell imaging. 2014, 第 1 作者  通讯作者  
[36] Liu, Rui, Wang, Fengyan, Jiang, Bin, Czako, Gabor, Yang, Minghui, Liu, Kopin, Guo, Hua. Rotational mode specificity in the Cl + CHD3 -> HCl + CD3 reaction. JOURNAL OF CHEMICAL PHYSICS[J]. 2014, 第 5 作者141(7): http://dx.doi.org/10.1063/1.4892598.
[37] Yang, Yang, Liu, Rui, Wan, Renzhuo, Yang, Minghui. SEVEN-DIMENSIONAL QUANTUM DYNAMICS STUDY OF THE H-2 + NH2 -> H + NH3 REACTION ON AN INTERPOLATED POTENTIAL ENERGY SURFACE. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY[J]. 2013, 第 4 作者12(6): http://ir.wipm.ac.cn/handle/112942/839.
[38] Jiang, Bin, Liu, Rui, Li, Jun, Xie, Daiqian, Yang, Minghui, Guo, Hua. Mode selectivity in methane dissociative chemisorption on Ni(111). CHEMICAL SCIENCE[J]. 2013, 第 5 作者4(8): 3249-3254, http://dx.doi.org/10.1039/c3sc51040a.
[39] Zheng, Limin, Lee, SooYing, Lu, Yunpeng, Yang, Minghui. Theoretical studies of the CO2-N2O van der Waals complex: Ab initio potential energy surface, intermolecular vibrations, and rotational transition frequencies. JOURNAL OF CHEMICAL PHYSICS[J]. 2013, 第 4 作者138(4): http://dx.doi.org/10.1063/1.4776183.
[40] Song, Hongwei, Lee, SooYing, Yang, Minghui, Lu, Yunpeng. Full-dimensional quantum calculations of the vibrational states of H-5(+). JOURNAL OF CHEMICAL PHYSICS[J]. 2013, 第 3 作者138(12): http://dx.doi.org/10.1063/1.4797464.
[41] Fu, Hong, Zheng, Limin, Yang, Minghui. Accelerating modified Shepard interpolated potential energy calculations using graphics processing units. COMPUTER PHYSICS COMMUNICATIONS[J]. 2013, 第 3 作者  通讯作者  184(4): 1150-1154, http://dx.doi.org/10.1016/j.cpc.2012.12.005.
[42] Yang Minghui. QCT and QM calculations of the Cl(2P) + NH3 reaction: influence of the reactant well on the Dynamics.. Physics Chemistry Chemical. Physics. 2012, 第 1 作者
[43] Yang Minghui. Mode Selectivity for a "Central" Barrier Reaction: Eight-Dimensional Quantum Studies of the O(3P) + CH4 → OH + CH3 Reaction on an Ab Initio Potential Energy Surface. 2012, 第 1 作者  通讯作者  
[44] Cao, Chenyu, Mao, Jiezhen, Li, Fang, Yang, Minghui, He, Hongqing, Jiang, Ling, Liu, Maili. Understanding the Interaction between Valsartan and Detergents by NMR Techniques and Molecular Dynamics Simulation. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2012, 第 4 作者116(25): 7470-7478, http://ir.wipm.ac.cn/handle/112942/1693.
[45] Yang Minghui. Molecular Dynamics Simulations of Helix Boundle of Proteins using UNRES Force Field and All-Atom Force Field. Journal of Theoretical and Computational Chemistry. 2012, 第 1 作者  通讯作者  
[46] Liu, Rui, Xiong, Hongwei, Yang, Minghui. An eight-dimensional quantum mechanical Hamiltonian for X+YCZ(3) system and its applications to H+CH4 reaction. JOURNAL OF CHEMICAL PHYSICS[J]. 2012, 第 3 作者  通讯作者  137(17): http://ir.wipm.ac.cn/handle/112942/1628.
[47] Zheng, Limin, Lu, Yunpeng, Lee, SooYing, Fu, Hong, Yang, Minghui. Theoretical studies of the N2O van der Waals dimer: Ab initio potential energy surface, intermolecular vibrations and rotational transition frequencies. JOURNAL OF CHEMICAL PHYSICS[J]. 2011, 第 5 作者134(5): http://ir.wipm.ac.cn/handle/112942/8210.
[48] Zheng, Limin, He, Hongqing, Yang, Minghui, Zeng, Qun, Yang, Mingli. Identifying Tm@C-82 isomers with density functional theory calculations. JOURNAL OF PHYSICS-CONDENSED MATTER[J]. 2010, 第 3 作者  通讯作者  22(23): http://dx.doi.org/10.1088/0953-8984/22/23/235301.
[49] Li, Fang, Wang, Lingyun, Xiao, Nan, Yang, Minghui, Jiang, Ling, Liu, Maili. Dominant Conformation of Valsartan in Sodium Dodecyl Sulfate Micelle Environment. JOURNAL OF PHYSICAL CHEMISTRY B[J]. 2010, 第 4 作者114(8): 2719-2727, http://www.irgrid.ac.cn/handle/1471x/960456.

科研活动

   
科研项目
(1) 在分子单量子态水平上研究飞秒激光对化学反应通道的超快控制作用,参与,国家级,2012-01--2015-12
(2) 五原子反应的全维量子动力学研究,主持,国家级,2011-01--2013-12
(3) 态态分子反应动力学的实验与理论研究,参与,国家级,2009-01--2012-12

指导学生

已指导学生

危佳  硕士研究生  070208-无线电物理  

张会婷  硕士研究生  070208-无线电物理  

王琳  博士研究生  070208-无线电物理  

王凌云  博士研究生  070208-无线电物理  

郑利敏  博士研究生  070208-无线电物理  

宋侃  硕士研究生  070208-无线电物理  

现指导学生

杨洋  博士研究生  070302-分析化学  

付红  博士研究生  070208-无线电物理  

王艳  博士研究生  070208-无线电物理  

高恺夫  博士研究生  070208-无线电物理  

刘瑞  硕士研究生  070208-无线电物理  

余毅聪  博士研究生  070208-无线电物理  

陈柳杨  硕士研究生  070302-分析化学