深圳市计算化学与药物设计重点实验室
Lab of Computational Chemistry and Drug Design

Yan Hong

时间:2013-04-15

Hong Yan

鄢 红

State Key Laboratory of Chemical Resource Engineering

School of Science

Beijing University of Chemical Technology

Beijing, 100029, P. R. China

Tel: (8610) 6444-8331(O), 13520187939 (Cell)

E-mail: yanhong@mail.buct.edu.cn

 

EDUCATION

Ph.D. in Applied Chemistry Sept. 2004-June 2009

Beijing University of Chemical Technology, Beijing

Dissertation: “Theoretical study on the construction of layered double hydroxides structure”

Advisor: Professor Xue Duan, Professor Min Wei

Visit student of Professor Jing Ma at Nanjing, U, ni, versity in July 2005 and 2006.

M. S. in Applied Chemistry Sept. 1996-June 1999

Beijing University of Chemical Technology, Beijing,

Thesis: “Study on the multimedia simulator of gas chromatography apparatus and its experimental process”

Advisor: Professor Changqun Zhang, Professor Fei Yao

B. S. in Chemistry Sept. 1988-June 1992

Central China Normal University, Wuhan

   

EMPLOYMENT HISTORY

Postdoctoral Research Associate

Advisor: Professor Yun-Dong Wu

Department of Chemistry,

The Hong Kong University of Science and Technology May 2010-present

Senior Lecturer of chemistry, Tutor for the graduates from 2010

Beijing University of Chemical Technology July 1999-present

Assistant Lecturer of chemistry

Hubei Agricultural College (Yangtze University) June 1992- Aug. 1996

RESEARCH EXPERIENCE

The Hong Kong University of Science and Technology May 2010-present

  • – Research on the mechanism of Pd(II)/Rh(I)-catalyzed carbon-carbon bond formation reaction (conjugate addition and Heck reaction), and the ligand effects on such reactions through density functional theoretical (DFT) method.

Beijing University of Chemical Technology 2004- May 2010

  • – Research on the structural and electronic properties of the functional host-guest layered materials (layered double hydroxides, LDHs) by DFT method using a molecular cluster model.
  • – Research on the lattice structure and electronic property of LDHs by the plane-wave pseudopotential implementation of DFT using a periodic solid model.
  • – Research on the fluorescence of the organic guest molecules and their optical properties in the limited interlayer space of LDHs.
  • – Develop a modified force field for LDHs materials and study the orientation of some organic guests within different LDHs layers.

Beijing University of Chemical Technology 1996-2004

– Research on the numerical simulation of chemical process by computer programming.

TEACHING EXPERIENCE

Beijing University of Chemical Technology

Teach “Computational Chemistry” (Undergraduate Students), Fall, 2001- present

– Design and deliver the course of “Computational Chemistry” which has been awarded as national outstanding course (国家级精品课程) by Chinese Ministry of Education in 2006.

– Teach “Practice for Chemical Software”, Fall,2009-present

Instruct “Physical Chemistry Experiments” (Undergraduate Students),

Fall&Spring, 1999-2001

Hubei Agricultural College Fall&Spring, 1992-1996

Teach “Inorganic Chemistry” and “Analytical Chemistry” courses (Undergraduate Students).

CURRENT RESEARCH INTERESTS

  • – Elucidate the mechanism(s) of catalysis, optical and other functional properties of the organo-systems and inorganic-organic hybrid systems;
  • – Research on the application of electronic structure methods and molecular simulation methods in investigating structure, bonding and host-guest interaction in inorganic-organic hybrid & host-guest functional material systems.
  •  

PROFESSIONAL MEMBERSHIP

Member of Chinese Chemical Society

HONOURS AND AWARDS

  • – Excellent Teaching Achievement Award for Higher Education (1st Class; 2st Class), Beijing Municipal Commission of Education, 2001, 2005, 2009
  • – The 2nd Class Award in “Finding Scientific Problem Competition”, State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, 2008
  • – Excellent Teaching Achievement Award (1st Class), Beijing University of Chemical Technology, 2004, 2006, 2008
  • – DaBao Outstanding Teacher Award, Beijing University of Chemical Technology, 2006
  • – Outstanding Teaching Award in “The 5th Teaching Skill Competition for Young Teachers”, Beijing University of Chemical Technology, 2006
  • – Excellent MCAI Courseware Award (1st Class), Beijing University of Chemical Technology, 2000
  • – Outstanding Postgraduate Fellowship, Beijing University of Chemical Technology, 1998

RESEARCH PROGRAM SUPPORTED AND PARTICIPATED IN

  • – Theoretical study on the orientation and properties of the functional organic guests within the limited interlayer space of the layered double hydroxides, Foundation of State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, PI: Hong Yan, 2009-2011
  • – Theoretical study on the fluorescence and its property within the layered double hydroxides, The Student’s Research Training Project, Beijing University of Chemical Technology, PI: Hong Yan, 2009-2011
  • – Molecular assembling of intercalated materials and their product engineering, National Science Foundation of China (NSFC, No.20831001), PI: Xue Duan, 2009-2012
  • – Study on intercalated structure assembling, Cooperation program by production, study and research of Beijing Municipal Commission of Education, PI: Xue Duan, 2009-2010
  • – Intercalated assembling of the supermolecular structural advanced functional materials, National Basic Research Program (No. 2004CB720602), PI: Xue Duan , 2004-2007

EDUCATION INNOVATION PROGRAM PARTICIPATED IN

  • – Construction of the national outstanding course “Computational Chemistry”, Chinese Ministry of Education, 2006-present
  • – Construction of the national education team of chemistry, Chinese Ministry of Education, 2008-present
  • – Construction of state chemistry education base for engineering course, Chinese Ministry of Education, 1999-present
  • – National planed teaching material for higher education “Computational Chemistry”, 2002-2005
  • – Development and practice of the new course “Computational Chemistry”, Education innovation foundation of Beijing University of Chemical Technology (No. A067), 2001-2003
  • – World bank loaned education innovation program (No. TO-6237), 2001-2003
  • – Development of the computer aided instruction software for higher education, national key scientific and technological project (No.96-750-01-15), 1998-2000
  • – Development and practice of engineering courses of chemistry for higher education, Chinese Ministry of Education, 1996-2000

SELECTED PUBLICATIONS (2000-present)

1. Qian Peng, Hong Yan,Yun-Dong Wu, Reaction Mechanism of Pd(II)(bpy) -Catalyzed Conjugate Addition and its Competing Heck Reaction: A Comparative Theoretical Study with That of Rh(I)-Catalysis. (in preparation)

2. Hong Yan, Qian Peng, Xiyan Lu, Yun-Dong Wu,Ligand effect on the reactivity of insertion in Pd(II)/Rh(I)-catalyzed conjugate addition: a comparative theoretical study. (in preparation)

3. Hong Yan, Min Wei, Jing Ma, Xue Duan. Effect of M2+/M3+ ratio on the structure and stability of Mg-containing binary layered double hydroxides: A theoretical study based on the Mgn– M(III) cluster. 2010, J. Comput. Chem., under review

  • 4. Hong Yan, Min Wei, Jing Ma, David G Evans, Xue Duan. Plane-wave Density Functional Theory Study on the Structural and Energetic Properties of Cation-disordered Mg-Al Layered Double Hydroxides. J. Phys. Chem. A, 2010, 114: 7369-7376.
  • 5. Jingbin Han, Dongpeng Yan, Wenying Shi, Jing Ma, Hong Yan, Min Wei, D. G. Evans, Xue Duan Layer-by-layer ultrathin films of azobenzene-containing polymer/layered double hydroxides with reversilbe photoresponsive behaviour. J. Phys. Chem. B, 2010, 114 5678-5685.
  • 6. Hong Yan, Min Wei, Jing Ma, Xue Duan. Density functional theory study on the influence of cation ration on the host layer structure of Zn/Al double hydroxides. Particuology, 2010, 8: 212-220.
  • 7. Hong Yan, Min Wei, Jing Ma, Feng Li, David G Evans, Xue Duan. Theoretical study on the structural properties and relative stability of M(Ⅱ)-Al layered double hydroxides based on a cluster model. J. Phys. Chem. A, 2009, 113: 6133-6141.
  • 8. Hong Yan, Jun Lu, Min Wei, Jing Ma, Hui Li, Jing He, David G Evans, Xue Duan. Theoretical study of the hexahydrated metal cations for the understanding of their template effects in the construction of layered double hydroxides. J. Mol. Struc.-THEOCHEM., 2008, 866: 34-45.
  • 9. Hong Yan, Zhi Lv, Changqun Zhang. Computer simulation for the vapour-liquid equilibrium of the non-ideal binary liquid mixture. Computers and Applied Chemistry, 2005, 22(11), 989-994. (in Chinese)
  • 10. Zhihua Guo, Hong Yan, Changqun Zhang. Computer simulation of the motion state of unidimensional and two-dimetional particles in the phase space of statistical thermodynamics. Computers and Applied Chemistry, 2004, 2(12), 309-313. (in Chinese)
  • 11. Hong Yan, Changqun Zhang, Guangsheng Guo. Simulation of the statistical thermodynamic model of solution. Computers and Applied Chemistry, 2001, 18(4), 361-364 (in Chinese)
  • 12. Hong Yan, Guangsheng Guo, Changqun Zhang. Computer simulation for the solid liquid equilibrium experiment of binary metal system with limited miscibility of the components. Computers and Applied Chemistry, 2001, 18(6), 515-519. (in Chinese)
  • 13. Hong Yan, Guoxin Zhao, Wenjun Li, Fei Yao, Changqun Zhang. Simulation of gas chromatography and its experimental process. Computers and Applied Chemistry, 2000, 17(4), 285-288. (in Chinese)
  • 14. Hong Yan, Guangsheng Guo, Changqun Zhang. Research and practice of the new interdisciplinary course “Computational Chemistry”. Chinese University Education, 2006, 3, 17-18. (in Chinese)

BOOK CHAPTERS AND COURSEWARE

1. Xue Duan, Fazhi Zhang, Min Pu, Hong Yan, et al. The Intercalated Chemistry of the Inorganic Supermolecular Materials, Chapter 2, (in Chinese), Beijing, Science Press, 2009.

2.   Changqun Zhang, Hong Yan, Guangsheng Guo, Zhi Lv. Computational Chemistry, Chapter 1 to Chapter 7, (in Chinese), 1−240, Beijing, Higher Education Press, 2006. (Awarded excellent teaching material by Beijing Municipal Commission of Education in 2008.)

3.   Hong Yan, Changqun Zhang. Computational Chemistry MCAI Courseware, Higher Education Press & Electronic Audio-visual Press, 2006.

4.   Changqun Zhang (Ed.) Physical Chemistry MCAI Courseware, Higher Education Press & Electronic Audio-visual Press, 2001.