Principal Investigator

• 

  Jian Liu

  Peking University Boya Distinguished Professor （博雅特聘教授）

  he/him/his

  Theoretical Chemistry / Chemical Dynamics

  Institute of Theoretical and Computational Chemistry

  College of Chemistry and Molecular Engineering

  & Center for Computational Science & Engineering

  Peking University,

  & Beijing National Laboratory for Molecular Sciences,

  Beijing, 100871, China

  Tel: +86-10-62759052

  Email: jianliupku (AT) pku.edu.cn

  Orcid ID: http://orcid.org/0000-0002-2906-5858

  Google Scholar

Education/Work Experience

• Director/Vice Director, Institute of Theoretical and Computational Chemistry, Peking University, 2019-present

• Affiliated Faculty Member, Center for Computational Science & Engineering, Peking University, 2014-present

• Professor/Associate Professor, 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 Time-Resolved Spectroscopy (时间分辨谱学专业委员会委员), Chinese Chemical Society, April 2023-present

• Member, Committee for Theoretical Chemistry (理论化学专业委员会), Chinese Chemical Society, August 2022-present

• Member, Committee for Chemical Dynamics (化学动力学专业委员会), Chinese Chemical Society, May 2018-present

Selected Honors and Awards

• Minzhu Scholar Prize, 2023 （北京大学第二届民珠学者奖)

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

• QSCP Promising Scientist Prize of Centre de Mécanique Ondulatoire Appliquée (CMOA) （国际应用量子力学中心Promising Scientist奖）, 2018

• 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

• American Chemical Society Physical Chemistry Division Postdoctoral Research Award, 2012

• Drickamer Fellowship (University of Illinois at Urbana-Champaign), 2003

• Guo Moruo Scholarship (郭沫若奖学金) (University of Science & Technology of China), 1999 link

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

• Outstanding Advisor Award for Scientific Training of Undergraduate Students of PKU（北京大学本科生科研训练优秀指导教师奖）, 2022

• Zhong-Chen YuLan Teaching Award, 2022 (北京大学钟陈玉蘭奖教金)

• QiuShi Teaching Award, 2022 (北京大学秋实奖教金)

• Outstanding Advisor Award for Undergraduate Thesis in Beijing（北京市普通高校本科毕业设计（论文）优秀指导老师）, 2019

• PKU Outstanding Teaching Team Award (北京大学优秀教学团队奖), 2019

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

• Concord Teaching Award（北京大学康科德奖教金）, 2016

Selected Recent Publications

1. Xin He, Xiangsong Cheng, Baihua Wu, Jian Liu^*, “Nonadiabatic Field with Triangle Window Functions on Quantum Phase Space”, Journal of Physical Chemistry Letters, 15, 5452-5466 (2024) [https://doi.org/10.1021/acs.jpclett.4c00793][pdf version][Supporting information]

2. Baihua Wu, Xin He, Jian Liu^*, "Nonadiabatic Field on Quantum Phase Space: A Century after Ehrenfest", Journal of Physical Chemistry Letters, 15(2), 644-658 (2024) [https://pubs.acs.org/doi/10.1021/acs.jpclett.3c03385][Invited Perspective][pdf version][Supporting information]

3. Xin He, Baihua Wu, Youhao Shang, Bingqi 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] Supporting Information [Invited contribution. Front Cover of the issue.][pdf version][pdf link][https://arxiv.org/abs/2205.03870]

4. 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]

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 (因为疫情推迟)

4. 2022 Workshop on Computational Statistical Mechanics of Complex Systems, October 28-30, 2022, Xiamen

5. The 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC), July 3-8, 2022, Vancouver, Canada (Talk cancelled due to the travel policy)

6. The 25th International Workshop on Quantum Systems in Chemistry, Physics and Biology, June 19-24, 2022, Toruń, Poland (Talk cancelled due to the travel policy)

7. The CECAM Workshop “Challenges of molecular spectroscopy: Theory meets experiment”, June 13-17, 2022, Lausanne, Switzerland (Presentation online)

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 (Presentation online)

9. The XXth International Workshop on Quantum Atomic and Molecular Tunneling Systems, May 15-20, 2022, Canmore, Canada (Presentation online)

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

12. The International Chemical Congress of Pacific Basin Societies 2021, Symposium “Quantum Coherence in Energy Transfer”, December 15-20, 2021, Honolulu, Hawaii, USA

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)

Selected Recent Awards of Group Members

1. 翟羽 博雅博士后奖学金 2023年9月

2. 吴柏华 博雅博士后奖学金 2024年9月

3. 吴柏华 第11届国际理论化学物理大会(ISTCP2024)优秀海报奖 2024年10月

4. 吴柏华 兴业银行奖学金 2023年10月

5. 吴柏华 北京大学优秀科研奖 2023年10月

6. 贺鑫 北京大学三好学生 2023年10月

7. 贺鑫 校长奖学金 2023年8月

8. 程祥松 优秀科研奖 2024年10月

9. 尚游皓 北京大学三好学生 2024年10月

10. 尚游皓 北京大学二等奖学金 2023年10月

11. 尚游皓 北京大学学习优秀奖 2023年10月

12. 尚游皓 校长奖学金 2023年8月

13. 李炳其 北京大学学习优秀奖 2023年10月