陈俊
更新日期：2022-10-18 
陈俊，男，1988年出生，理学博士，研究员，硕士生导师。2010年本科毕业于南京大学化学化工学院，2016年博士毕业于中国科学院大连化学物理研究所。2016年至2019年从事博士后研究工作。2019年11月至今，任福建物构所研究员。
电子邮箱：chenjun@fjirsm.ac.cn
办公地址：澳门银银河71632号楼1325室
办公电话：0591-63173878
研究方向：理论计算化学、势能面、反应动力学。结合高等级电子结构方法与机器学习技术，构造高精度化学反应势能面，用于经典或量子反应动力学计算，探索气相与固体表面体系的化学反应微观机制。研究对象包括气相反应体系，分子与固体表面相互作用体系，金属团簇配合物体系等。
招生方向：物理化学，凝聚态物理
代表性论文：
A. 化学反应势能面
1. Jun Chen, Jun Li, Joel M. Bowman, Hua Guo*, Energy Transfer between Vibrationally Excited Carbon Monoxide based on a Highly Accurate Six-dimensional Potential Energy Surface, J. Chem. Phys., 2020, 153(5): 054310.
2. Jun Chen, Xin Xu, Shu Liu, Dong H. Zhang*, A neural network potential energy surface for F + CH4 reaction including multiple channels based on coupled cluster theory, Phys. Chem. Chem. Phys., 2018, 20(14): 9090-9100.
3. Jun Chen, Zhigang Sun*, Dong H. Zhang*, An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-cluster method, J. Chem. Phys., 2015, 142(2): 024303. (Featured article of JCP.)
4. 陈俊, 张东辉*, 基于神经网络的分子体系势能面构造, 中国科学: 化学, 2015, 45(12): 1241-1253.
5. Jun Chen#, Xin Xu#, Xin Xu, Dong H. Zhang*, Communication: An accurate global potential energy surface for the OH + CO → H + CO2 reaction using neural networks, J. Chem. Phys., 2013, 138(22): 221104. (#Contributed equally. Top 20 Most Read in June 2013 of JCP. Selected as highly cited articles from Chinese authors published in JCP during 2011-2015.)
6. Jun Chen, Xin Xu, Xin Xu, Dong H. Zhang*, A global potential energy surface for the H2 + OH <-> H2O + H reaction using neural networks, J. Chem. Phys., 2013, 138(15): 154301. (Selected as highly cited articles from Chinese authors published in JCP during 2011-2015.)
B. 气相反应动力学
7. Zhen Chen#, Jun Chen#, Rongjun Chen, Ting Xie, Xingan Wang, Shu Liu*, Guorong Wu*, Dongxu Dai, Xueming Yang*, Dong H. Zhang*, Reactivity oscillation in the heavy-light-heavy Cl + CH4 reaction, Proc. Natl. Acad. Sci. U.S.A., 2020, 117(17): 9202-9207. (#Contributed equally.)
8. Tiangang Yang#, Jun Chen#, Long Huang, Tao Wang, Chunlei Xiao*, Zhigang Sun*, Dongxu Dai, Xueming Yang*, Dong H. Zhang*, Extremely short-lived reaction resonances in Cl + HD (v = 1) → DCl + H due to chemical bond softening, Science, 2015, 347(6217): 60-63. (#Contributed equally.)
9. Tao Wang#, Jun Chen#, Tiangang Yang, Chunlei Xiao*, Zhigang Sun*, Long Huang, Dongxu Dai, Xueming Yang*, Dong H. Zhang*, Dynamical resonances accessible only by reagent vibrational excitation in the F + HD → HF + D reaction, Science, 2013, 342(6165): 1499-1502. (#Contributed equally.)
10. Xin Xu#, Jun Chen#, Xiaoxiao Lu, Wei Fang, Shu Liu, Dong H. Zhang* Strong Non-Arrhenius behavior at low temperatures in the OH + HCl → H2O + Cl reaction due to resonance induced quantum tunneling, Chem. Sci., 2022, 13: 7955-7961. (#Contributed equally.)
11. Tiangang Yang, Long Huang, Chunlei Xiao, Jun Chen, Tao Wang, Dongxu Dai, Francois Lique, Millard Alexander*, Zhigang Sun*, Dong H. Zhang, Xueming Yang*, Daniel M. Neumark*, Enhanced Reactivity of Fluorine with para-Hydrogen in Cold Interstellar Clouds by Resonance-Induced Quantum Tunneling, Nat. Chem., 2019, 11(8): 744-749.
12. Fangfang Li, Changwu Dong, Jun Chen, Jiaxing Liu, Fengyan Wang*, Xin Xu*, The harpooning mechanism as evidenced in the oxidation reaction of the Al atom, Chem. Sci., 2018, 9(2): 488-494.
C. 密度泛函理论
13. Yizhen Wang, Yajing Li, Jun Chen, Igor Ying Zhang*, Xin Xu*, Doubly Hybrid Functionals Close to Chemical Accuracy for Both Finite and Extended Systems: Implementation and Test of XYG3 and XYGJ-OS, JACS Au, 2021, 1(5): 543-549.
14. Jun Chen#, Neil Qiang Su#, Xin Xu*, Dong H. Zhang*, Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional, J. Comput. Chem., 2017, 38(27): 2326-2334. (#Contributed equally.)
15. 苏乃强#, 陈俊#, 徐昕*, 张东辉*, 基于新一代密度泛函和神经网络势能面的量子反应动力学计算, 物理化学学报, 2016, 32(1): 119-130. (#Contributed equally.)
16. Neil Qiang Su#, Jun Chen#, Zhigang Sun, Dong H. Zhang*, Xin Xu*, H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals, J. Chem. Phys., 2015, 142(8): 084107. (#Contributed equally.)
D. 凝聚态动力学
17. Jun Chen#, Wei Zhuang #, Theoretical Description of Water from Single-Molecule to Condensed Phase: Recent Progress on Potential Energy Surfaces and Molecular Dynamics, Chin. J. Chem. Phys., 2022, 35(2): 227-241.
18. Jun Chen#, Tan Jin#, Tonghao Shen*, Mingjun Yang*, Zhe-Ning Chen*, Toward Accurate and Efficient Dynamic Computational Strategy for Heterogeneous Catalysis: Temperature-Dependent Thermodynamics and Kinetics for the Chemisorbed on-surface CO, Chin. Chem. Lett., 2022, 33(11): 4936-4942. (#Contributed equally.)
19. Apurba Nandi, Peng Zhang, Jun Chen, Hua Guo, Joel M. Bowman*, Vibration facilitated roaming in the isomerization of CO adsorbed on NaCl: A quasiclassical simulation based on cluster models, Nat. Chem., 2021, 13(3): 249-254.
20. Jun Chen, Seenivasan Hariharan, Jorg Meyer, Hua Guo*, Potential Energy Landscape of CO Adsorbates on NaCl(100) and Implications in Isomerization of Vibrationally Excited CO, J. Phys. Chem. C, 2020, 124(35): 19146-19156.
21. Tianhui Liu, Jun Chen, Zhaojun Zhang, Xiangjian Shen, Bina Fu*, Dong H. Zhang*, Water dissociating on rigid Ni(100): a quantum dynamics study on a full-dimensional potential energy surface, J. Chem. Phys., 2018, 148(14): 144705.
22. Xiangjian Shen, Jun Chen, Zhaojun Zhang, Kejie Shao, Dong H. Zhang*, Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network method, J. Chem. Phys., 2015, 143(14): 144701.