Jun Li
Jun Li, Professor
Email: jli15@cqu.edu.cn
Jun Li is Professor of Chemistry at Chongqing University, China. He received his Bachelor and Doctoral degrees from Sichuan University. He worked with Prof. Sheng-Hsien Lin as a visiting student at National Chiao-Tung University on photochemistry for five months. After three-year postdoctoral research with Prof. Hua Guo at University of New Mexico, he joined Chongqing University as an independent PI. With a Humboldt Fellowship for Experienced Researchers, he worked with Prof. Jörg Behler at Georg-August-Universität Göttingen, Germany. His research interests include potential energy surfaces, reaction kinetics and dynamics, for various chemical systems.
Selected Papers:
1. Jun Li*, Bin Zhao,* Daiqian Xie,* and Hua Guo*, New Challenges to Bimolecular Reaction Dynamics Theory, JPCLett. 2020.
2. Dandan Lu, Jun Li*, Mode specificity of a multi-channel reaction prototype: F + CH3OH → HF + CH3O/CH2OH, Theoretical Chemical Account, 2020.
3. Dandan Lu, Jӧrg Behler, Jun Li*, Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance, J. Phys. Chem. A, 2020, 124, 5737.
4. Jun Li#,*, Zoltan Varga#, Donald G. Truhlar*, and Hua Guo*, Many-Body Permutationally Invariant Polynomial Neural Network Potential Energy Surface for N4, J. Chem. Theory Comput., 2020, 16, 4822.
5. Bin Jiang*, Jun Li*, Hua Guo*, High-Fidelity Potential Energy Surfaces for Gas-Phase and Gas-Surface Scattering Processes from Machine Learning, J. Phys. Chem. Lett., 2020, 11, 5120.
6. Yang Liu, Jun Li*, Quantitative Dynamics of the N2O + C2H2 → Oxadiazole Reaction: A Model for 1,3-Dipolar Cycloadditions, ACS Omega, DOI: 10.1021/acsomega.0c03210.
7. Dandan Lu, Jun Li*, and Hua Guo*, Comprehensive Investigations of the Cl + CH3OH → HCl + CH3O/CH2OH Reaction: Validation of Experiment and Dynamic Insights, CCS Chemistry, 2020, 2, 882-894.
8. Wenrui Li, Yanlei Shang, Hongbo Ning*, Jun Li* and Sheng-Nian Luo, Reaction Pathways and Kinetics Study on a Syngas Combustion System: CO + HO2 in an H2O Environment, Phys. Chem. Chem. Phys., 2020, 22, 5797-5806.
9. Yang Liu, Hongwei Song*, Daiqian Xie*, Jun Li*, and Hua Guo*, Mode Specificity in the OH + HO2 → H2O + O2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode, J. Am. Chem. Soc., 2020, 142, 3331.
10. Changyun Chen#, Bo Lu#, Xiaofang Zhao, Weiyu Qian, Jie Liu, Tarek Trabelsi, Joseph S. Francisco*, Jie Qin, Jun Li*, Lina Wang, and Xiaoqing Zeng*, Capture of the Sulfur Monoxide–Hydroxyl Radical Complex, J. Am. Chem. Soc., 2020, 142, 2175-2179.
11. Yang Liu, and Jun Li*, An accurate potential energy surface and ring polymer molecular dynamics study of the Cl + CH4 → HCl + CH3 reaction, Phys. Chem. Chem. Phys., 2020, 22, 344-353.
12. Jun Li*, Ro-vibrational Spectra of the Simplest Deuterated Criegee Intermediate CD2OO, Chinese Journal of Chemical Physics, 2020, 33, 65-68.
13. Yang Liu and Jun Li*, An Accurate Full-Dimensional Permutationally Invariant Potential Energy Surface for the Interaction between H2O and CO, Phys. Chem. Chem. Phys., 2019, 21, 24101.
14. Jie Qin, Yang Liu, Dandan Lu, and Jun Li*, Theoretical Study for the Ground Electronic State of the Reaction OH + SO → H + SO2, J. Phys. Chem. A, 2019, 123, 7218−7227.
15. Dandan Lu , Jun Li*, and Hua Guo*, Stereodynamical Control of Product Branching in Multi-Channel Barrierless Hydrogen Abstraction of CH3OH by F, Chem. Sci., 2019, 10, 7994-8001.
16. Yanice Benitez, Dandan Lu, Katharine G. Lunny, Jun Li*, Hua Guo, and Robert E. Continetti*, Photoelectron-Photofragment Coincidence Studies on the Dissociation Dynamics of the OH-CH4 Complex, J. Phys. Chem. A, 2019, 123, 4825.
17. Yang Liu, Mengna Bai, Hongwei Song*, Daiqian Xie* and Jun Li*, A Critical Comparison of Neural Network Potentials for Molecular Reaction Dynamics with Exact Permutation Symmetry, Phys. Chem. Chem. Phys., 2019, 21, 12667.
18. Jun Li*, Kaisheng Song, and Jörg Behler*, A Critical Comparison of Neural Network Potentials for Molecular Reaction Dynamics with Exact Permutation Symmetry, Phys. Chem. Chem. Phys., 2019, 21, 9672-9682
19. Dandan Lu, Changjian Xie, Jun Li*, and Hua Guo*, Rate Coefficients and Branching Ratio for Multi-Channel Hydrogen Abstractions from CH3OH by F, Chinese Journal of Chemical Physics, 2019, 32, 84-88.
20. Jun Li*, Ring-Polymer Molecular Dynamics Studies of Thermal Rate Coefficients for Reaction F + H2O → HF + OH, Chinese Journal of Chemical Physics, 2019, 32, 313-318.
21. Yongfa Zhu, Leilei Ping, Mengna Bai, Yang Liu, Hongwei Song*, Jun Li* and Minghui Yang, Tracking the Energy Flow in the Hydrogen Exchange Reaction OH + H2O → H2O + OH, Phys. Chem. Chem. Phys., 2018, 20, 12543.
22. Adriana Caracciolo#, Dandan Lu#, Nadia Balucani, Gianmarco Vanuzzo, Domenico Stranges, Xingan Wang, Jun Li*, Hua Guo, Piergiorgio Casavecchia*, Combined Experimental-Theoretical Study of the OH + CO → H + CO2 Reaction Dynamics, J. Phys. Chem. Lett., 2018, 9, 1229-1236.
23. Jun Li*, Hua Guo, Thermal Rate Coefficients and Kinetic Isotope Effects for the Reaction OH + CH4 → H2O + CH3 on an ab Initio-Based Potential Energy Surface, J. Phys. Chem. A, 2018, 122, 2645-2652.
24. Yang Liu#, Yin Huang#, Jianyi Ma*, Jun Li*, Classical Trajectory Study of Collision Energy Transfer between Ne and C2H2 on a Full Dimensional Accurate Potential Energy Surface, J. Phys. Chem. A, 2018, 122, 1521-1530.
25. Marissa L. Weichman, Jessalyn A. DeVine, Mark C. Babin, Jun Li*, Lifen Guo, Jianyi Ma, Hua Guo, and Daniel M. Neumark*, Feshbach Resonances in the Exit Channel of the F + CH3OH → HF + CH3O Reaction Observed Using Transition-State Spectroscopy, Nature Chem., 2017, 9, 950-955.
26. Dandan Lu#, Ying Zhang#, Jun Li*, Kinetics Studies of the F + HCl → HF + Cl Reaction on an Accurate Potential Energy Surface, Chem. Phys. Lett., 2017, 694, 93-101.
27. Jun Li*, Changjian Xie, and Hua Guo, Kinetics and Dynamics of the C(3P) + H2O Reaction on a Full-Dimensional Accurate Triplet State Potential Energy Surface, Phys. Chem. Chem. Phys., 2017, 19, 23280-23288.
28. Mengna Bai, Dandan Lu, Jun Li*, Quasi-Classical Trajectory Studies on the Full-Dimensional Accurate Potential Energy Surface for the OH + H2O = H2O + OH Reaction, Phys. Chem. Chem. Phys., 2017, 19, 17718-17725.
29. Ji Qi#, Dandan Lu#, Hongwei Song*, Jun Li*, and Minghui Yang, Quantum and Quasiclassical Dynamics of the Multi-Channel H + H2S Reaction, J. Chem. Phys., 2017, 146, 124303.
30. Jun Li*, Richard Dawes*, and Hua Guo*, An Accurate Multi-Channel Multi-Reference Full-Dimensional Global Potential Energy Surface for the Lowest Triplet State of H2O2, Phys. Chem. Chem. Phys., 2016, 18, 29825-29835.
31. Dandan Lu#, Ji Qi#, Minghui Yang, Jörg Behler*, Hongwei Song*, and Jun Li*, Mode Specific Dynamics in the H2 + SH → H + H2S Reaction, Phys. Chem. Chem. Phys., 2016, 18, 29113-29121.
32. Bin Jiang*, Jun Li*, and Hua Guo*, Potential Energy Surfaces from High Fidelity Fitting Ofab Initiopoints: The Permutation Invariant Polynomial – Neural Network Approach, International Reviews in Physical Chemistry, 2016, 35, 479-506.
33. Mengna Bai#, Dandan Lu#, Yongle Li*, and Jun Li*, Ring-Polymer Molecular Dynamical Calculations for the F + HCl → HF + Cl Reaction on the ground 12A’ Potential Energy Surface, Phys. Chem. Chem. Phys., 2016, 18, 32031-32041
34. Dandan Lu and Jun Li*, Full-Dimensional Global Potential Energy Surfaces Describing Abstraction and Exchange for the H + H2S Reaction, J. Chem. Phys., 2016, 145, 014303.
35. Jun Li* and Hua Guo*, Communication: An Accurate Full 15 Dimensional Permutationally Invariant Potential Energy Surface for the OH + CH4 → H2O + CH3 Reaction, J. Chem. Phys., 2015, 143, 221103.
36. Jun Li* and Hua Guo, Permutationally Invariant Fitting of Intermolecular Potential Energy Surfaces: A Case Study of the Ne-C2H2 System, J. Chem. Phys., 2015, 143, 214304.
37. Jun Li*, and Hua Guo*, Full-Dimensional Potential Energy Surface and Ro-Vibrational Levels of Dioxirane, J. Phys. Chem. A, 2015, 120, 2991-2998.
38. Yu-Hsuan Huang, Jun Li*, Hua Guo, and Yuan-Pern Lee*, Infrared Spectrum of the Simplest Criegee Intermediate CH2OO, J. Chem. Phys., 2015, 142, 214301.
39. Jun Li#*, Jun Chen#, Zhiqiang Zhao, Daiqian Xie, Dong H. Zhang*, and Hua Guo, A Permutationally Invariant Full-Dimensional Ab Initio Potential Energy Surface for the Abstraction and Exchange Channels of the H + CH4 System, J. Chem. Phys., 2015, 142, 204302.
40. Jun Li*, Hongwei Song, Hua Guo*, Insights into the Bond-Selective Reaction of Cl + HOD(nOH) → HCl + OD, Phys. Chem. Chem. Phys., 2015, 17, 4259-4267.
