Wensheng Bian  Ph.D.  Professor Physical Chemistry & Chemical Physics

Research Areas

Ø       Construction of potential energy surface and   nonadiabatic dynamics
Ø       Atmosphere, combustion and laser chemistry
Ø       Theory and calculations in quantum chemistry
Ø        Theoretical and computational reaction dynamics
Ø        Molecular spectroscopy, resonance, and reactive  collisions


Ph. D. 1994 Shandong University


Work Experience

  • Assistant Professor 1994 Shandong University
  • Visiting scholar 1995.8-11 University of Copenhagen
  • Humboldt Research Fellow 1996.10-1998.5  University of Stuttgart
  • Professor 1999 Shandong University
  • JSPS fellow,  2000-2002.2 Institute of Molecular Science, Japan; research associate,2002.2-2003.2,TTU, USA
  • Professor 2003.3- Institute of Chemistry, Chinese Academy of Sciences (ICCAS)

Teaching Experience

Physical Chemistry, Chemical Thermodynamics, Group Theory

Honors & Distinctions



1. Yinghui Ren, Wensheng Bian*, Mode-specific tunneling splittings for a sequential double-hydrogen transfer case: An accurate quantum mechanical scheme.         J. Phys. Chem. Lett. 6, 1824-1829, 2015.

2. Zhitao Shen, Jianwei Cao, Wensheng Bian*, Quantum mechanical differential and integral cross sections for the C(1D)+H2 (v=0, j=0) → CH(v', j') + H reaction.        J. Chem. Phys. 142, 164309, 2015.

3. Chunfang Zhang, Mingkai Fu, Zhitao Shen, Haitao Ma*, Wensheng Bian*, Global analytical ab initio ground-state potential energy surface for the C(1D)+H2 reactive system.  J. Chem. Phys. 140, 234301, 2014.

4. Ying Wu, Chunfang Zhang, Jianwei Cao*, Wensheng Bian*, Quasiclassical trajectory study of the C(1D)+H2→CH+H reaction on a new global ab initio potential energy surface.  J. Phys. Chem. A 118, 4235, 2014.

5. Zhaopeng Sun, Chunfang Zhang, Shiying Lin, Yujun Zheng*, Qingtian Meng, Wensheng Bian*, Quantum reaction dynamics of the C(1D) + H2(D2) → CH(D) + H(D) on a new potential energy surface.  J. Chem. Phys., 139, 014306, 2013.

6. Lu Pan, Wensheng Bian*, Jiaxu Zhang*, The effect of explicit solvent on photodegradation of decabromodiphenyl ether in toluene: Insights from theoretical study.  J. Phys. Chem. A, 117, 5291, 2013.

7. Lu Pan, Wensheng Bian*, Theoretical study on the photodegradation mechanism of nona-BDEs in methanol. ChemPhysChem, 14, 1264, 2013.

8. Haitao Ma, Chunfang Zhang, Zhijun Zhang, Xiaojun Liu, Wensheng Bian*; New ab initio potential energy surfaces for the Renner-Teller coupled 11A' and 11A" states of CH2. Adv. Phys. Chem., 2012, 236750, 2012.

9. Le. Yu, Wensheng Bian*; Electronically excited-state properties and predissociation mechanisms of phosphorus monofluoride: A theoretical study including spin–orbit coupling.  J. Chem. Phys., 137, 014313, 2012.

10. Zhijun Zhang, Bin Li, Zhitao Shen, Yinghui Ren, Wensheng Bian*; Efficient quantum calculation of the vibrational states of acetylene. Chem. Phys., 400, 1, 2012.

11. Hongmei Zhao, Lu Pan, Wensheng  Bian*; A theoretical study on the reaction  mechanisms of O(3P)+1-butene. Int. J. Quantum Chem., 112, 858, 2012.

12. Zhijun Zhang, Haitao Ma, Wensheng Bian*; Accurate quantum mechanical study of the Renner-Teller effect in the singlet CH2J. Chem. Phys., 135, 154303, 2011.

13. Le Yu, Wensheng Bian*; Extensive theoretical study on electronically excited states and predissociation mechanisms of sulfur monoxide including spin-orbit coupling;  J. Comput. Chem., 32, 1577, 2011.

14. Bin Li, Yinghui Ren, Wensheng  Bian*; Accurate quantum dynamics study on the resonance decay of vinylidene. ChemPhysChem, 12, 2419(Communication), 2011.

15. Yinghui Ren, Bin Li, Wensheng Bian*; Full-dimensional quantum dynamics study of vinylidene-acetylene isomerization: A scheme using normal mode Hamiltonian;   Phys. Chem. Chem. Phys.,13, 2052, 2011.

16. Jianwei Cao, Zhijun Zhang, Chunfang Zhang, Wensheng Bian*, Yin Guo*; Kinetic study on the H+SiH4 abstraction reaction using an ab initio potential energy surface; J. Chem. Phys.,134, 024315, 2011.

17. Jianwei Cao, Zhijun Zhang, Chunfang Zhang, Kun Liu, Manhui Wang, Wensheng Bian*; Quasiclassical Trajectory Study of H+SiH4 Reactions in Full-Dimensionality Reveals Atomic-Level Mechanisms; Proc. Natl. Acad. Sci. U.S.A., 106, 13180-13185, 2009.

18. Kun Liu, Le Yu, Wensheng Bian*; Extensive Theoretical Study on the Low-Lying Electronic States of Silicon Monochloride Cation including Spin-Orbit Coupling;     J. Phys. Chem. A, 113, 1678-1685, 2009.

19. Bin Li, Wensheng Bian*; Efficient quantum calculations of vibrational states of vinylidene in full-dimensionality: A scheme with combination of methods;          J. Chem. Phys., 129, 024111/1 -024111/12, 2008.

20. Manhui Wang, Xiaomin Sun, Wensheng Bian*; Quasiclassical trajectory study of the SiH4 + H SiH3 +H2 reaction on a global 12-dimensional ab initio potential energy surface;  J. Chem. Phys., 129, 084309/1-084309/8, 2008.

21. Kun Liu, Wensheng Bian*; Extensive Theoretical Study on the Low-Lying Electronic States of Silicon Monofluoride Cation including Spin-Orbit Coupling;    J. Comput. Chem., 29, 256-265, 2008.

22. Wenwei Zhao, Lu Pan, Wensheng Bian*, Jianping Wang*; Influence of solvent polarity and hydrogen bonding on the electronic transition of Coumarin 120: a TD-DFT study; ChemPhysChem, 9, 1593-1602, 2008.

23. Wenwei Zhao, Wensheng Bian*; Investigation of the structures and electronic spectra of two coumarins with heterocyclic substituents through TD-DFT calculations; J. Mol. Struct.-Theochem, 859, 73-78, 2008.

24. Wenwei Zhao, Wensheng Bian*; Investigation of the structures and electronic spectra for Coumarin 6 through TD-DFT calculations including PCM salvation;   J. Mol. Struct.-Theochem, 818, 43-49, 2007.

25. Manhui Wang, Xiaomin Sun, Wensheng Bian*, Zhengting Cai; A global 12-dimensional ab initio potential energy surface and dynamical studies for the SiH4+HSiH3 +H2 Reaction; J. Chem. Phys., 124, 234311/1-234311/9, 2006.

26. Xiaojun Liu, Wensheng Bian*, Xian Zhao, Xutang Tao; Potential Energy Surface Intersections in the C(1D)H2 Reactive System; J. Chem. Phys., 125, 074306/1-074306/7, 2006.

27. Haitao Ma, Xiaojun Liu, Wensheng Bian*, Lingpeng Meng, Shijun Zheng; A Theoretical Study of Mechanisms and Kinetics of F + N3 Reactions; ChemPhysChem, 7, 1786-1794, 2006.

28. Hongmei Zhao, Wensheng Bian*, Kun Liu; A Theoretical Study of the Reaction of O(3P) with Isobutene;  J. Phys. Chem. A, 110, 7858-7866, 2006.

29. Xiaojun Liu, Haidong Ju, Xian Zhao, Xutang Tao*, Wensheng Bian*, Minhua Jiang; Study of electronic and spectroscopic properties on a newly synthesized red fluorescent material;  J. Chem. Phys., 124, 174711/1-174711/5, 2006.

30. Wensheng Bian, B. Poirier; Accurate and highly efficient calculation of the highly excited pure OH stretching resonances of O(1D)HCl, using a combination of methods; J. Chem. Phys., 121, 4467-4478, 2004.



Research Interests



Invited Talks:

(1) Jianwei Cao,Haitao Ma,Wensheng Bian(*),The excited-state potential

energy surface and dynamics: The C(1D)+H2 reactive system,Theoretical

Challenges in Small Molecule Dynamics: A Satellite Meeting of the 15th

International Congress of Quantum Chemistry,2015.6.2-2015.6.6。

(2) Wensheng Bian(*),Yinghui Ren,Feng Wu,Hydrogen Migration:Insights

from Accurate Quantum Dynamics Study,The 6th Worldwide Chinese Theoretical 

and Computational Chemistry Conference),2013.6.24-2013.6.28。

(3) Wensheng Bian(*),High-dimensional/Coupled Potential Energy Surfaces

and Reaction Dynamics,International Conference on Theoretical and High

Performance Computational Chemistry 2011,Xian,2011.8。

(4) Wensheng Bian(*),Proton Transfer: Insights from Accurate Quantum

Dynamics Study,International Symposium on Computational Sciences: Quantum

Simulations for Material and Biological Systems,Shanghai,2011.4。

(5) Wensheng Bian(*),Quantum Dynamics Study on Intramolecular Proton

Transfer in 1,2,4-Triazole,BIT Life Sciences' 3 rd Annual W orld Congress of


(6) Wensheng Bian(*),Molecular Dynamics Simulations of Chemical

Reactions: Abstraction, Insertion, and H-migration,International Symposium on

Theoretical and Computational Chemistry - 2010: High Performances


(7) Wensheng Bian(*),Mechanism and Dynamics of Chemical Reactions:

Abstraction, Insertion, and H-migration,The 2010 Workshop on Frontiers of

Theoretical and Computational Physics and Chemistry,Xiamen,2010.12。

(8) Wensheng Bian(*),Multi-scale Simulation of Hydrogen-oriented Chemical

Reactions,International Workshop of GPU Solutions to Multiscale Problems in

Science and Engineering,Harbin,2010.7。

(9) Wensheng Bian(*),Molecular Dynamics of Hydrogen-oriented Chemical

Reactions,2010 Annual Meeting of Asian CORE Program,2010.3.1-2010.3.2。

(10) Wensheng Bian(*),Dynamics and Atomic-level Mechanisms of

Hydrogen-oriented Chemical Reactions,The 5th Worldwide Chinese Theoretical and

Computational Chemistry Conference (WCTCC),xiamen,2009.12.14-2009.12.17。

(11) Wensheng Bian(*),Dynamical Studies on Hydrogen-oriented Chemical

Reactions,2009 International Workshop on Frontiers of Theoretical and

Computational Physics and Chemistry,suzhou,2009.10.30-2009.11.2。

(12) Wensheng Bian(*),Conical intersections and new atomic-level reaction

mechanisms,The International Conference on Computational and Systems Biology


(13) Yinhui Ren,Bin Li,Wensheng Bian(*),Full-dimensional Quantum

Dynamics Study of Resonance States of Vinylidene Using Normal Mode

Hamiltonian,the 7th International Conference of Computational Methods in

Sciences and Engineering 2009: Computational aspects of the modelling of

vibrational properties of gases, liquids and solids,2009.9.29-2009.10.4。

(14) Wensheng Bian(*),A scheme with combination of methods: Efficient

quantum calculations of acetylene-vinylidene isomerization in

full-dimensionality,International conference on the Theory and Applications of

Computational Chemistry (TACC),Shanghai,2008.9.23-2008.9.27。NSFC 201




张志军  博士研究生  070304-物理化学  80032-化学研究所

任迎辉  硕士研究生  070304-物理化学  80032-化学研究所

曹剑炜  博士研究生  070304-物理化学  80032-化学研究所

吴莹  博士研究生  070304-物理化学  80032-化学研究所

潘璐  博士研究生  070304-物理化学  80032-化学研究所

于乐  博士研究生  070304-物理化学  80032-化学研究所

张春芳  博士研究生  070304-物理化学  80032-化学研究所