Liu, Jian (刘剑)

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

Tel: +86-10-62759052
E-mail: jianliupku AT

Education/Work Experience


Selected Honors and Awards

Select Recent Publications

  1. 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) [Invited contribution]


  2. 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]


  3. 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) [] [Invited contribution to the Tanimura Festschrift]


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


  5. 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) []


Selected Recent Invited Talks

  1. The 5th Conference of Theory and Applications of Computational Chemistry, Hokkaido University, Sapporo, Japan (Postponed to 2022)
  2. Gordon Research Conference: Molecular Interactions and Dynamics, July 10-15, 2022, Stonehill College, Easton, MA, USA
  3. The 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC), July 3-8, 2022, Vancouver, Canada
  4. The 25th International Workshop on Quantum Systems in Chemistry, Physics and Biology, June 19-24, 2022, Toruń, Poland
  5. The CECAM Workshop “Challenges of molecular spectroscopy: Theory meets experiment”, June 13-17, 2022, Lausanne, Switzerland
  6. 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
  7. The XXth International Workshop on Quantum Atomic and Molecular Tunneling Systems, May 15-20, 2022, Canmore, Canada
  8. 2021复杂体系计算统计力学研讨会, 2022年3月18-21日,福建厦门
  9. The 5th China-Japan-Korea Workshop on Theoretical and Computational Chemistry, January 12-14, 2022, Institute for Molecular Science, Japan (online format)
  10. 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
  11. The International Chemical Congress of Pacific Basin Societies 2021, Symposium “Quantum Coherence in Energy Transfer”, December 15-20, 2021, Honolulu, Hawaii, USA
  12. 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
  13. 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
  14. 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
  15. The 5th National Symposium on Ultrafast Spectroscopy, July 18-21, 2021, Qingdao, Shandong
  16. CECAM Flag School “Path Integral Quantum Mechanics: From the Basics to the Latest Developments”, June 14-18, 2021 (Online format)
  17. The 32th Annual Meeting of Chinese Chemical Society, April 19-22, 2021, Zhuhai, Guangdong
  18. The Spring 2021 American Chemical Society National Meeting, April 5-16, 2021 (Online format)