态-态量子动力学理论与计算方法

   

070304-物理化学（含：化学物理）

物理化学

2007-09--2012-05   中国科学院大连化学物理研究所   博士研究生
2003-09--2007-07   大连理工大学   本科

   

2020-07~现在, 中国科学院大连化学物理研究所, 研究员
2016-07~2020-07,中国科学院大连化学物理研究所, 副研究员
2012-07~2016-07,中国科学院大连化学物理研究所, 助理研究员

   

[1] Zhang Xiaoren, Chen Jun, Xu Xin, Liu Shu, Zhang Dong H.. A neural network potential energy surface for the F + H2O ↔ HF + OH reaction and quantum dynamics study of the isotopic effect. Physical Chemistry Chemical Physics[J]. 2021, 23(14): 8809-8816, [2] Liu Shu, Zhang Xiaoren, Chen Jun, Zhang Dong H.. Feshbach Resonances in the Vibrationally Excited F+HOD(vOH/vOD=1) Reaction Due to Chemical Bond Softening. Journal of Physical Chemistry Letters[J]. 2021, 12(6): 6090-6094, [3] Xiaoren Zhang, Lulu Li, Jun Chen, Shu Liu, Dong H Zhang. Feshbach resonances in the F + H2O → HF + OH reaction. NATURE COMMUNICATIONS[J]. 2020, 11(1): 1-5, http://dx.doi.org/10.1038/s41467-019-14097-y.
[4] Chen, Zhen, Chen, Jun, Chen, Rongjun, Xie, Ting, Wang, Xingan, Liu, Shu, Wu, Guorong, Dai, Dongxu, Yang, Xueming, Zhang, Dong H. Reactivity oscillation in the heavy-light-heavy Cl + CH4 reaction. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA[J]. 2020, 117(17): 9202-9207, https://www.webofscience.com/wos/woscc/full-record/WOS:000530099500018.
[5] Huang, Jiayu, Chen, Jun, Liu, Shu, Zhang, Dong H. Time-Dependent Wave Packet Dynamics Calculations of Cross Sections for Ultracold Four-Atom Reactions. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2020, 11(20): 8560-8564, https://www.webofscience.com/wos/woscc/full-record/WOS:000582569600014.
[6] Xu Xin, Chen Jun, Liu Shu, Zhang Dong H.. An Ab Initio-Based Global Potential Energy Surface for the SH3 System and Full-Dimensional State-To-State Quantum Dynamics Study for the H2+HS→H2 +H Reaction. Journal of Computational Chemistry[J]. 2018, [7] Peng Sun, Jun Chen, Shu Liu, Dong H Zhang. Accurate integral cross sections for the H + CO2 → OH + CO reaction. CHEMICAL PHYSICS LETTERS. 2018, 706: 675-679, http://dx.doi.org/10.1016/j.cplett.2018.07.025.
[8] Sun, Peng, Zhang, Zhaojun, Chen, Jun, Liu, Shu, Zhang, Dong H. Well converged quantum rate constants for the H-2 + OH -> H2O + H reaction via transition state wave packet. JOURNAL OF CHEMICAL PHYSICS[J]. 2018, 149(6): [9] Peng Sun, Jun Chen, Shu Liu, Dong H. Zhang. A full-dimensional time-dependent wave packet study of the H + CO2 → OH + CO reaction. CHEMICAL PHYSICS LETTERS. 2017, 683: 352-356, http://dx.doi.org/10.1016/j.cplett.2017.02.083.
[10] Zhiqiang Zhao, Zhaojun Zhang, Shu Liu, Dong H Zhang. Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism. NATURE COMMUNICATIONS[J]. 2017, 8(1): https://doaj.org/article/51de15a3b64a4a4689d7256a79209e38.
[11] Zhao, Zhiqiang, Liu, Shu, Zhang, Dong H. State-to-state differential cross sections for a four-atom reaction: H-2 + OH -> H2O + H in full dimensions. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 145(13): http://cas-ir.dicp.ac.cn/handle/321008/169910.
[12] Liu, Shu, Zhang, Dong H. A local mode picture for H atom reaction with vibrationally excited H2O: a full dimensional state-to-state quantum dynamics investigation. CHEMICAL SCIENCE[J]. 2016, 7(1): 261-265, http://dx.doi.org/10.1039/c5sc03472h.

   

（ 1 ） 氟/氯原子加水分子及其同位素取代反应的全维态-态量子动力学研究, 主持, 国家级, 2015-01--2017-12
（ 2 ） 氟化氢化学激光体系反应动力学研究和原位测量技术发展, 参与, 国家级, 2016-01--2020-12
（ 3 ） 多原子化学反应动力学研究, 参与, 国家级, 2015-01--2019-12
（ 4 ） 氟/氯原子加甲烷分子及其同位素取代反应的态-态量子动力学研究, 主持, 国家级, 2018-01--2021-12
（ 5 ） 多原子反应的量子动力学研究, 主持, 国家级, 2021-01--2023-12