77779193永利集团
77779193永利集团

刘剑(Jian Liu)

博雅特聘教授,PI,博士生导师

研究方向:物理化学, 理论和计算化学, 化学动力学和光谱,量子统计力学, 量子动力学, 光化学

电话:+86-10-62759052
Email:jianliupku AT pku.edu.cn
课题组网站:http://jianliugroup.pku.edu.cn/index.html

Education/Work Experience

Services

  • Member, Committee for Theoretical Chemistry, Chinese Chemical Society, August 2022-present

  • Member, Committee for Chemical Dynamics, Chinese Chemical Society, May 2018-present

     

Selected Honors and Awards

Select Recent Publications

  1. Xin He, Baihua Wu, Tom Rivlin, Jian Liu, Eli Pollak, "Transition Path Flight Times and Nonadiabatic Electronic Transitions",  Journal of Physical Chemistry Letters, 13, 30, 6966-6974 (2022) https://pubs.acs.org/doi/10.1021/acs.jpclett.2c014251 

     

  2. Xin He, Baihua Wu, Youhao Shang, Binqi Li, Xiangsong Cheng, Jian Liu, "New Phase Space Formulations and Quantum Dynamics Approaches", Wiley Interdisciplinary Reviews-Computational Molecular Science, 12, 6, e1619 (2022)  https://doi.org/10.1002/wcms.1619 [Invited contribution. Front Cover of this issue.]

     

  3. Jian Liu, Xin He, Baihua Wu, "Unified formulation for phase space mapping models for nonadiabatic quantum dynamics", Accounts of Chemical Research, 54, 23, 4215–4228 (2021) https://doi.org/10.1021/acs.accounts.1c00511 [Invited contribution]

     

  4. Baihua Wu, Xin He, Jian Liu, "Phase Space Mapping Theory for Nonadiabatic Quantum Molecular Dynamics", Volume on Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics, Jenny Stanford Publishing [Invited contribution]

     

  5. Xin He, Baihua Wu, Zhihao Gong, Jian Liu, "Commutator Matrix in Phase Space Mapping Models for Nonadiabatic Quantum Dynamics", Journal of Physical Chemistry A, 125, 31, 6845–6863 (2021) [https://doi.org/10.1021/acs.jpca.1c04429] [Invited contribution to the Tanimura Festschrift]

     

  6. Xinzijian Liu, Linfeng Zhang, Jian Liu, "Machine Learning phase space quantum dynamics approaches", Journal of Chemical Physics, 154, 184104 (2021). [https://doi.org/10.1063/5.0046689] [Invited contribution to the Special Topic 'Quantum Dynamics with ab Initio Potentials']

     

  7. Xin He, Zhihao Gong, Baihua Wu, Jian Liu, "Negative Zero-Point-Energy Parameter in the Meyer–Miller Mapping Model for Nonadiabatic Dynamics", Journal of Physical Chemistry Letters, 12, 2496–2501 (2021) [https://pubs.acs.org/doi/full/10.1021/acs.jpclett.1c00232]

     

Selected Recent Invited Talks

  1. The 5th Conference of Theory and Applications of Computational Chemistry, September 4-9, 2023, Hokkaido University, Sapporo, Japan
  2. The 10th Asia-Pacific Conference on Theoretical and Computational Chemistry (APCTCC-10), February 19–23, 2023, Quy Nhon, Vietnam
  3. 第一届中国光谱技术与应用研讨会,2022年12月4-6日,上海(因为疫情推后)
  4. 2023 Workshop on Computational Statistical Mechanics of Complex Systems, October 28-30, 2023, Xiamen
  5. The 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC), July 3-8, 2022, Vancouver, Canada (Cancelled due to the COVID policy)
  6. The 25th International Workshop on Quantum Systems in Chemistry, Physics and Biology, June 19-24, 2022, Toruń, Poland (Cancelled due to the COVID policy)
  7. The CECAM Workshop “Challenges of molecular spectroscopy: Theory meets experiment”, June 13-17, 2022, Lausanne, Switzerland
  8. The Telluride Science Research Center (TSRC) Workshop on the Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy Molecular Systems, June 6-10, 2022, Telluride, Colorado, USA
  9. The XXth International Workshop on Quantum Atomic and Molecular Tunneling Systems, May 15-20, 2022, Canmore, Canada
  10. The 5th China-Japan-Korea Workshop on Theoretical and Computational Chemistry, January 12-14, 2022, Institute for Molecular Science, Japan (online format)
  11. The International Chemical Congress of Pacific Basin Societies 2021, Symposium “Modeling exciton and charge dynamics in molecules and clusters toward optoelectronic applications”,December 15-20, 2021, Honolulu, Hawaii, USA (Online format)
  12. The International Chemical Congress of Pacific Basin Societies 2021, Symposium “Quantum Coherence in Energy Transfer”, December 15-20, 2021, Honolulu, Hawaii, USA (Online format)
  13. 第16届全国计算(机)化学学术会议,2021年10月17-20日, 吉林长春
  14. 中国化学会第14届全国量子化学会议, 2021年10月9-12日, 上海
  15. 第十四届华北五省市化学学术研讨会, 2021年7月9-13日, 河北崇礼
  16. The 5th National Symposium on Ultrafast Spectroscopy, July 18-21, 2021, Qingdao, Shandong
  17. CECAM Flag School “Path Integral Quantum Mechanics: From the Basics to the Latest Developments”, June 14-18, 2021 (Online format)
  18. The 32th Annual Meeting of Chinese Chemical Society, April 19-22, 2021, Zhuhai, Guangdong
  19. The Spring 2021 American Chemical Society National Meeting, April 5-16, 2021 (Online format)
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