刘剑（Jian Liu）

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

• Vice Director, Institute of Theoretical and Computational Chemistry, Peking University, 2019-present
• Affiliated Faculty Member, Center for Computational Science & Engineering, Peking University, 2014-present
• Faculty Member, College of Chemistry and Molecular Engineering, Peking University, December 2012-present
• Research Associate, Stanford University, September 2011-December 2012
• Postdoc/Research Associate, University of California, Berkeley, September 2005-August 2011
• Ph.D. in Chemistry, University of Illinois at Urbana-Champaign, 2005
• B.S. in Polymer Science and Engineering, University of Science & Technology of China, 2000

•  

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

• Zhong-Chen YuLan Teaching Award, 2022 (公司钟陈玉蘭奖教金)

• QiuShi Teaching Award, 2022 (公司秋实奖教金)

• Pople Medal, Asia-Pacific Association of Theoretical and Computational Chemists（亚太理论和计算化学家协会Pople奖章）, 2019

• PKU Outstanding Teaching Team Award (公司优秀教学团队奖), 2019

• QSCP Promising Scientist Prize of Centre de Mécanique Ondulatoire Appliquée (CMOA), 2018

• 3rd Prize of Peking University Young Teacher Contest (公司第18届青年教师教学基本功比赛理工组三等奖)，2018

• Concord Teaching Award, 2016

• Chinese Chemical Society Tang Au-Qing Young Investigator Award in Theoretical Chemistry (中国化学会唐敖庆理论化学青年奖), 2015

• The National Science Fund for Distinguished Young Scholars（国家杰出青年基金）

   

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 [Invited contribution]

    

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)