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李军
2017-04-13 10:13   审核人:

说明: Jun Li photo.jpg    李军,男,重庆大学百人计划学者,特聘研究员,博士生导师。2002-2011年,于四川大学获得本科、博士学位。2009-2010年在台湾国立交通大学林圣贤先生(中央研究院院士)组交流访问。2011-2014年在美国新墨西哥大学化学系做博士后研究,合作导师郭华教授。2014年加入重庆大学化学化工学院。采用理论/计算化学方法研究化学相关问题,主要包括高精度势能面的构建,化学反应动力学、动态学,光化学以及燃烧模拟等,至今已发表学术论文共计七十余篇,包括ScienceNature ChemistryJACSPRLChem. Sci.JPC Lett.PCCPJCP等,合著书籍章节1篇。多次受邀参加国际国内会议。总引用达1200于次,h-index=22

诚邀对计算化学和理论化学感兴趣的人士(本科、硕士、博士、博士后、访问学者均可)加入本课题组继续深造。实行人性化管理模式,根据个人特长和感兴趣的方向设计课题,并培养训练。实验环境优良。另外课题组集体活动丰富,导师热爱和擅长羽毛球。期待你们的加入!

    Dr. Jun Li, tenure-track research fellow in physical and theoretical chemistry/chemical physics, joined the College of Chemistry and Chemical Engineering of Chongqing University in September, 2014. Dr. Li received his B.S. and Ph. D. degrees in Sichuan University in 2006 and 2011, respectively. 2009-2010, he spent five months in National Chiao-Tung University under the supervision of Professor Sheng-Hsien Lin for studies of molecular spectroscopy and photochemistry. After three-year (2011-2014) postdoctoral research with Professor Hua Guo at Department of Chemistry and Chemical Biology, University of New Mexico, USA, he started his independent career at Chongqing University in 2014. His research interests include high level potential energy surfaces, reaction kinetics/dynamics, photochemistry and combustion simulations. In total, about 70 papers have been published on Science, Nature Chemistry, JACS, PRL, Chem. Sci., JPC Lett., PCCP, JCP, et al.

研究方向:主要研究领域为理论化学、物理化学、化学物理等,包括:构建高精度的从头算势能面,研究小分子体系的化学反应动力学和动态学,模拟振动-转动光谱、振电谱,燃烧和裂解等过程中的复杂反应网络的构造和模拟。

联系方式Email: jli15@cqu.edu.cn

项目支持:

重庆大学“青年百人计划”

国家自然科学基金委面上项目

学生奖励:

[1] 卢丹丹:2016年硕士研究生国家奖学金

[2] 张阳阳:2017年重庆大学优秀本科毕业论文

论文列表

2017

71. “Feshbach resonances in the exit channel of the F + CH3OH HF + CH3O reaction via transition state spectroscopy”, Marissa L. Weichman, Jessalyn A. DeVine, Mark C. Babin, Jun Li*, Lifen Guo, Jianyi Ma, Hua Guo, and Daniel M. Neumark*, Nature Chemistry, in press, DOI: 10.1038/nchem.2804

70. “Quasi-classical trajectory studies on the full-dimensional accurate potential energy surface for the OH + H2O = H2O + OH reaction”, Mengna Bai, Dandan Lu, Jun Li*, Physical Chemistry Chemical Physics, Advance article, DOI: 10.1039/C7CP02656K

69. “Quantum and quasiclassical dynamics of the multi-channel H + H2S reaction”, Ji Qi#, Dandan Lu#, Hongwei Song*, Jun Li*, and Minghui Yang, Journal of Chemical Physics, 146, 124303, 2017

68. “Rotational excitation of the interstellar NH2 radical by H2”, Nezha Bouhafs, Francois Lique, Alexandre Faure, Aurore Bacmann, Jun Li, and Hua Guo, Journal of Chemical Physics, 2017, 146, 064309

2016

67. “An accurate multi-channel multi-reference full-dimensional global potential energy surface for the lowest triplet state of H2O2”, Jun Li, Richard Dawes, and Hua Guo, Physical Chemistry Chemical Physics, 2016, 18, 29825-29835

66. “Mode specific dynamics in the H2 + SH → H + H2S Reaction”, Dandan Lu, Ji Qi, Minghui Yang, Jörg Behler, Hongwei Song, and Jun Li, Physical Chemistry Chemical Physics, 2016, 18, 29113-29121

65. “High fidelity representation of potential energy surfaces: The permutation invariant polynomial-neural network approach”, Bin Jiang, Jun Li, and Hua Guo, International Reviews in Physical Chemistry, 2016, 35, 479-506 (Invited, cover article)

64. “Ring-polymer molecular dynamical calculations for the F + HCl HF + Cl reaction on the ground 12Aʹ potential energy surface”, Mengna Bai, Dandan Lu, Yongle Li, and Jun Li, Physical Chemistry Chemical Physics, 2016, 18, 32031-32041 (highlight in back cover)

63. “Full-dimensional global potential energy surfaces describing abstraction and exchange for the H+H2S reaction”, Dandan Lu and Jun Li, Journal of Chemical Physics, 2016, 145, 014303

62. “Imaging a multidimensional multichannel potential energy surface: photodetachment of H¯(NH3) and NH4¯”, Qichi Hu, Hongwei Song, Christopher J. Johnson, Jun Li, Hua Guo and Robert E. Continetti, Journal of Chemical Physics, 2016, 144, 244311

61. “Permutation invariant global potential energy surfaces for polyatomic reactive systems using atomistic neural networks”, Brian Kolb, Bin Zhao, Jun Li, Bin Jiang, and Hua Guo, Journal of Chemical Physics, 2016, 144, 224103 (Editor's Choice)

60. “Mode specificity in the OH + CHD3 reaction: reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface”, Hongwei Song, Yunpeng Lu, Jun Li, Minghui Yang, and Hua Guo, Journal of Chemical Physics, 2016, 143, 164303

2015

59. “Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 H2O + CH3 reaction”, Jun Li and Hua Guo, Journal of Chemical Physics, 2015, 143, 221103

58. “Permutationally invariant fitting of inter-molecular potential energy surfaces: a case study of the Ne-C2H2 system”, Jun Li and Hua Guo, Journal of Chemical Physics, 2015, 143, 214304

57. “Rate coefficient for the 4Heμ + CH4 reaction at 500 K: comparison between theory and experiment and with the Mu + CH4 Reaction over a factor of 36 in atomic Mass”, Donald J. Arseneau, Donald G. Fleming, Yongle Li, Jun Li, Yury V. Suleimanov, and Hua Guo, J. Phys. Chem. B, 2016, 120, 1641-1648

56. “Mode specific dynamics of the H2+CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods”, Yan Wang, Jun Li, Liuyang Chen, Yunpeng Lu, Minghui Yang, Hua Guo, Journal of Chemical Physics, 2015, 143, 154307

55. "Full-dimensional potential energy surface and ro-vibrational levels of dioxirane", Jun Li, and Hua Guo, The Journal of Physical Chemistry A, 2015, 120, 2991-2998

54. “Accurate vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional quantum, MCTDH, and MULTIMODE calculations”, Hua-Gen Yu, Steve Ndengue, Jun Li, Richard Dawes, and Hua Guo, Journal of Chemical Physics, 2015, 143, 084311

53. “High-resolution infrared spectrum of the simplest Criegee intermediate CH2OO and new assignments of bands 2ν9 and ν5”, Yu-Hsuan Huang, Jun Li, Hua Guo, and Yuan-Pern Lee, Journal of Chemical Physics, 2015, 142, 214301

52. “A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H+CH4 system”, Jun Li, Jun Chen, Zhiqiang Zhao, Daiqian Xie, Dong H. Zhang, and Hua Guo, Journal of Chemical Physics, 2015, 142, 204302

51. “From ab initio potential energy surfaces to state resolved reactivities: the X + H2O ↔ HX + OH (X=F, Cl, and O(3P)) reactions”, Jun Li, Bin Jiang, Hongwei Song, Jianyi Ma, Bin Zhao, Richard Dawes, and Hua Guo, The Journal of Physical Chemistry A, 2015, 119, 4667-4687 (invited feature article, Editor’s Choice, and cover)

50. “A near spectroscopically accurate ab initio potential energy surface for NH4+ and Variational Calculations of Low-lying Vibrational Levels”, Huixian Han, Hongwei Song, Jun Li, and Hua Guo, The Journal of Physical Chemistry A, 2015, 119, 3400

49. “Final state-resolved mode specificity in HX + OH → X + H2O (X=F and Cl) reactions: A quasi-classical trajectory study”, Jun Li, Jose C. Corchado, Joaquin Espinosa-Garcia, Hua Guo, The Journal of Chemical Physics, 2015, 142, 084314

48. “Explicitly-correlated MRCI-F12 potential energy surfaces fitted with several permutation invariant fitting schemes and full-dimensional vibrational calculations”, Moumita Majumder, Samuel E. Hegger, Richard Dawes, Sergei Manzhos, Xiaogang Wang, Tucker Carrington Jr., Jun Li, Hua Guo, Molecular Physics, 2015, 113, 1823-1833.

47. “State-resolved quantum dynamics of photodetachment of HCO2/DCO2 on an accurate global potential energy surface”, Lindong Zou, Jun Li, Hui Wang, Jianyi Ma, Hua Guo, The Journal of Physical Chemistry A, 2015, 119, 7316.

46. “An experimental and theoretical study on rotational constants of vibrationally excited CH2OO”, Masakazu Nakajima, Qiang Yue, Jun Li, Hua Guo, Yasuki Endo, Chemical Physics Letters, 2015, 621, 129 (Editor's Choice)

45. “Insights into the bond-selective reaction of Cl+HOD(nOH) → HCl + OD”, Jun Li, Hongwei Song, Hua Guo, Physical Chemistry Chemical Physics, 2015, 17, 4259-4267

2014

44. “Mode selectivity in the HF + OH → F + H2O reaction”, Hongwei Song, Jun Li, Hua Guo, The Journal of Chemical Physics, 2014, 141, 164316

43. “Hemibond complexes between H2S and free radicals (F, Cl, Br, and OH)”, Benjamin Alday, Ryan Johnson, Jun Li, and Hua Guo, Theoretical Chemistry Accounts, 2014, 133, 1540

42. “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”, Yan Wang, Jun Li, Hua Guo, Minghui Yang, Theoretical Chemistry Accounts, 2014, 133, 1555

41. “Nine-dimensional quantum dynamics study of the H2 + NH2 → H + NH3 reaction: a rigorous test of the sudden vector projection model”, Hongwei Song, Jun Li, Minghui Yang, Yunppeng Lu, and Hua Guo, Physical Chemistry Chemical Physics, 2014, 16, 17770

40. “High-level, first-principles, full-dimensional quantum calculation of the ro-vibrational spectrum of the simplest Criegee intermediate (CH2OO)”, Jun Li, Stuart Carter, Joel M. Bowman, Richard Dawes, Daiqian Xie, and Hua Guo, The Journal of Physical Chemistry Letters, 2014, 5, 2364-2369

39. “Full-dimensional characterization of photoelectron spectra of HOCO- and DOCO- and tunneling facilitated decay of HOCO and DOCO prepared by anion photodetachment”, Jun Wang, Jun Li, Jianyi Ma, and Hua Guo, The Journal of Chemical Physics, 2014, 140, 184314.

38.  “Mode specificity and product energy disposal in unimolecular reactions: insights from the sudden vector projection model”, Jun Li and Hua Guo, The Journal of Physical Chemistry A, 2014, 118, 2419-2425

37. “Effects of reactant rotation on the dynamics of the OH + CH4 → H2O + CH3 reaction: A six- dimensional study”, Hongwei Song, Jun Li, Bin Jiang, Minghui Yang, Yunpeng Lu, and Hua Guo, The Journal of Chemical Physics, 2014, 140, 084307

36. “Nine-dimensional global potential energy surface for NH4(X2A1) and kinetics studies on the H + NH3 ↔ H2 + NH2 reaction”, Jun Li and Hua Guo, Physical Chemistry Chemical Physics, 2014, 16, 6753-6763

35. “Quantum and quasi-classical dynamics of the OH + CO → H + CO2 reaction on a new permutationally invariant neural network potential energy surface”, Jun Li, Jun Chen, Dong Hui Zhang and Hua Guo, The Journal of Chemical Physics, 2014, 140, 044327

34. “Imaging dynamics on the F + H2O → HF + OH potential energy surfaces from wells to barriers”, Rico Otto,# Jianyi Ma,# Amelia W. Ray, Jennifer S. Daluz, Jun Li, Hua Guo, and Robert E. Continetti, Science, 2014, 343, 396-399 (# equal contributions)

33. “Effect of reactant rotational excitation on reactivity: perspective from the sudden limit”, Bin Jiang , Jun Li, Hua Guo, The Journal of Chemical Physics, 2014, 140, 034112

2013

32. “Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems”, Jun Li, Bin Jiang, Hua Guo, The Journal of Chemical Physics, 2013, 139, 204103

31. “Quasi-classical trajectory study of F + H2O HF + OH reaction: influence of barrier height, reactant rotational excitation, and isotopic substitution”, Jun Li, Hua Guo, Chinese Journal of Chemical Physics, 2013, 26, 627-634

30. “Accurate determination of barrier height and kinetics for the F + H2O → HF + OH reaction”, Thanh Lam Nguyen#, Jun Li#, Richard Dawes, John Stanton, and Hua Guo, The Journal of Physical Chemistry A, 2013, 117, 8864-8872 (# equal contributions)

29. “Kinetic and dynamic studies of the Cl(2Pu) + H2O(X1A1) → HCl (X1S+) + OH(X2P) reaction on an ab initio based full-dimensional global potential energy surface of the ground electronic state of ClH2O”, Jun Li, Richard Dawes, and Hua Guo, The Journal of Chemical Physics, 2013, 139, 074302

28. “Quantum manifestation of roaming: The birth of a roaming resonance”, Anyang Li, Jun Li, and Hua Guo, The Journal of Physical Chemistry A, 2013, 117, 5052-5060

27. “Mode selectivity in methane dissociative chemisorption on Ni(111)”, Bin Jiang, Rui Liu, Jun Li, Daiqian Xie, Minghui Yang, and Hua Guo, Chemical Science, 2013, 4, 3249-3254

26. “A new ab initio based global HOOH(13A") potential energy surface for O(3P) + H2O(X1A1) ↔ OH(X2P) + OH(X2P)”, Jun Li, Hua Guo, The Journal of Chemical Physics, 2013, 138, 194304

25. “Covalent nature of X...H2O (X= F, Cl, and Br) interactions”, Jun Li, Yongle Li, Hua Guo, The Journal of Chemical Physics, 2013, 138, 141102 (Top 20 most read articles in April 2013; Top Most Read JCP Articles in the second quarter of 2013; Most Accessed Communications in 2013)

24. “Iron-catalyzed reduction of N2O by CO: gas-phase temperature dependent kinetics”, Joshua J. Melko, Shaun G. Ard, Joseph A. Fournier, Jun Li, Nicholas S. Shuman, Hua Guo, Jürgen Troe, and Albert A. Viggiano, Physical Chemistry Chemical Physics, 2013, 15, 11257-11267

23. “Spin-orbit corrected full-dimensional potential energy surfaces for the two lowest-lying electronic states of FH2O and dynamics for the F + H2O → HF + OH reaction”, Jun Li, Bin Jiang, and Hua Guo, The Journal of Chemical Physics, 2013, 138, 074309

22. “Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X= H, D, Mu) reactions from ring polymer molecular dynamics”, Yongle Li, Yury V. Suleimanov, Jun Li, William H. Green, and Hua Guo, The Journal of Chemical Physics, 2013, 138, 094307

21. “Effects of reactant internal excitation and orientation on dissociative chemisorption of H2O on Cu(111): Quasi-seven-dimensional quantum dynamics on a refined potential energy surface”, Bin Jiang, Jun Li, Daiqian Xie, and Hua Guo, The Journal of Chemical Physics, 2013, 138, 044704

20. “Vibrational excitations of reactant are more effective than translational energy in promoting an early-barrier reaction F + H2O → HF + OH”, Jun Li#, Bin Jiang#, and Hua Guo, Journal of the American Chemical Society, 2013, 135, 982-985 (Recommended as a spotlight paper by Editor DG Truhlar, # equal contributions)

19. “CO2 vibrational state distributions from quasi-classical trajectory studies of the HO + CO → H + CO2 reaction and H + CO2 inelastic collision”, Jose C. Corchado and Joaquin Espinosa-Garcia; Jun Li and Hua Guo, The Journal of Physical Chemistry A, 2013, 117, 11648-11654

18. “Enhancement of bimolecular reactivity by a pre-reaction van der Waals complex: the case of F + H2O → HF + HO”, Jun Li, Bin Jiang and Hua Guo, Chemical Science, 2013, 4, 629-632

2012

17. “General discussion”, Faraday Discussions, 2012, 157, 475–500

16. “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”, Rui Liu, Minghui Yang, Gábor Czakó, Joel M. Bowman, Jun Li, and Hua Guo, The Journal of Physical Chemistry Letters, 2012, 3, 3776–3780

15. “An ab initio based full-dimensional global potential energy surface for FH2O(X2A') and dynamics for the F + H2O → HF + HO reaction”, Jun Li, Richard Dawes, Hua Guo, The Journal of Chemical Physics, 2012, 137, 094304

14. “Quantum dynamics of the HO + CO → H + CO2 reaction on an accurate potential energy surface”, Jianyi Ma, Jun Li, Hua Guo, The Journal of Physical Chemistry Letters, 2012, 3, 24822486

13. “Tunneling facilitated dissociation to H+CO2 in HOCO- photodetachment ”, Jianyi Ma, Jun Li, Hua Guo, Physical Review Letters, 2012, 109, 063202 (citations=9)

12. “Quasi-classical trajectory study of the H + CO2 → HO + CO reaction on a new ab initio based potential energy surface”, Changjian Xie, Jun Li, Daiqian Xie, Hua Guo, The Journal of Chemical Physics, 2012, 137, 024308

11. “Kinetic study of the formation of triphenylene from the condensation of C12H10 + C6H5”, Shao-Zhuan Xiong, Jun Li, Jing-Bo Wang, Ze-Rong Li, Xiang-Yuan Li, Computational and Theoretical Chemistry, 2012, 985, 1-7

10. “Quasi-classical trajectory study of the HO+CO→H+CO2 reaction on a new ab initio based potential energy surface”, Jun Li, Changjian Xie, Jianyi Ma, Yimin Wang, Richard Dawes, Daiqian Xie, Joel M. Bowman and Hua Guo, The Journal of Physical Chemistry A, 2012, 116, 5057-5067

9. “Communication: A chemically accurate global potential energy surface for the HO+CO→H+CO2 reaction”, Jun Li, Yimin Wang, Bin Jiang, Jianyi Ma, Richard Dawes, Daiqian Xie, Joel M. Bowman, and Hua Guo, The Journal of Chemical Physics, 2012, 136, 041103 (Top 20 most read articles in January and February, 2012; Top Most Cited J. Chem. Phys. Articles of 2012; Most Accessed Communications in 2013)

8. “Investigations on the kinetics for the reaction class of hydrogen abstractions from substituted cyclohexane by hydrogen atom”, Su-Chuan Wang, Jun Li, Quan Zhu, Ze-Rong Li, Xiang-Yuan Li, Acta Chimica Sinica, 2012, 20, 585-590

2011

7. “Computational study of the reaction mechanism of the methylperoxy selfreaction”, Yan-ni Liang, Jun Li, Quan-De Wang, Fan Wang, Xiang-Yuan Li, The Journal of Physical Chemistry A, 2011, 115, 13534-13541

6. “A theoretical search for stable bent and linear structures of low-lying electronic states of titanium dioxide (TiO2) molecule”, Chih-Kai Lin, Jun Li, Zhe-Yan Tu, Xiang-Yuan Li, Michitoshi Hayashi, Sheng-Hsien Lin, RSA Advances, 2011, 1, 1228-1236

5. “Experiment and kinetics simulation on the pyrolysis of n-decane”, Yi Jiao, Jun Li, Jing-Bo Wang, Jian-Li Wang, Quan Zhu, Yao-Qiang Chen, Xiang-Yuan Li, Acta Physico-Chimica Sinica, 2011, 27, 1061-1067

4. “Unimolecular decomposition mechanism of vinyl alcohol by computational study”, Ju-Xiang Shao, Chun-Ming Gong, Xiang-Yuan Li, Jun Li, Theoretical Chemistry Accounts, 2011, 128, 341-348

2010

3. “Symmetry forbidden vibronic spectra and internal Conversion in Benzene”, Jun Li, Chih-Kai Lin, Xiang-Yuan Li, Chao-Yuan Zhu, Sheng-Hsien Lin, Physical Chemistry Chemical Physics, 2010, 12, 14967–14976

2. “Pyrolysis mechanism of hydrocarbon fuels and kinetic modeling”, Jun Li, Ju-Xiang Shao, Cun-Xi Liu, Han-Bing Rao, Ze-Rong Li, Xiang-Yuan Li, Acta Chimica Sinica, 2010, 68, 239-245

2007

1. “Solvent reorganization energy of electron transfer by a modified ellipsoidal cavity model”, Jun Li, Ke-Xiang Fu, Xiang-Yuan Li, Journal of Molecular Structure: THEOCHEM, 2007, 819, 32-40

书籍章节

1. “Tunneling in unimolecular and bimolecular reactions, Hua Guo, Jianyi Ma, and Jun Li, in Molecular Quantum Dynamics: From Theory to Applications (Physical Chemistry in Action), Edited by Fabien Gatti, Springer (Berlin Heidelberg), 2014, pp. 59-80.

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