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刘剑教授课题组

400-6699-117转1000

Liu, Jian (刘剑) 特聘研究员；博士生导师； 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

Education/Work Experience

• Associate Professor, College of Chemistry and Molecular Engineering, Peking University, December 2012-present
• Research Associate (with Prof. Todd J. Martinez), Stanford University, September 2011-December 2012
• Postdoc/Research Associate (with Prof. William H. Miller), University of California, Berkeley, September 2005-August 2011
• Ph.D. in Chemistry (Advisor: Prof. Nancy Makri), University of Illinois at Urbana-Champaign, 2005.
• B.S. in Polymer Science and Engineering, University of Science & Technology of China, 2000

Services

• Editorial Advisory Board of the Journal of Physical Chemistry (A/B/C/Letters), January 2017-present
• Organizer, Satellite Meeting "Recent Advances in Quantum Dynamics and Thermodynamics" (of the 16th International Congress of Quantum Chemistry), June 2015
• Member, Committee for Space, College of Chemistry and Molecular Engineering, Peking University
• Member, Committee for Academic Degrees, College of Chemistry and Molecular Engineering, Peking University
• Member, Committee for Academic Exchanges, College of Chemistry and Molecular Engineering, Peking University

Selected Honors and Awards

• Peking University Teaching Award, 2016
• Chinese Chemical Society Tang Au-Qing Youth Award on Theoretical Chemistry (中国化学会唐敖庆理论化学青年奖), 2015
• Recruitment Program of Global Experts (National "Thousand Young Talents Program", 青年千人计划), 2012 link
• American Chemical Society Physical Chemistry Division Postdoctoral Research Award, 2012
• NERSC Initiative for Scientific Exploration (NISE) Award, 2011
• 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

Recent Publications

1. Xinzijian Liu, Jian Liu, "Critical role of quantum dynamical effects in the Raman spectroscopy of liquid water", Molecular Physics (accepted) [Invited article for the special topic issue "Molecular Physics in China"]
2. Dezhang Li, Zifei Chen, Zhijun Zhang, Jian Liu, "Understanding molecular dynamics with stochastic processes via real or virtual dynamics", Chinese Journal of Chemical Physics, 30, 735 (2017) [http://dx.doi.org/10.1063/1674-0068/30/cjcp1711223 Invited article for the CJCP special topic issue on "Dynamics"]
3. Xinzijian Liu, Jian Liu, "Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems", Journal of Chemical Physics 148, 102319 (2018) [https://doi.org/10.1063/1.5005059 Invited article for the JCP special topic issue on "Nuclear Quantum Effects"]
4. Dezhang Li, Xu Han, Yichen Chai, Cong Wang, Zhijun Zhang, Zifei Chen, Jian Liu, Jiushu Shao, "Stationary state distribution and efficiency analysis of the Langevin equation via real or virtual dynamics", Journal of Chemical Physics, 147, 184104 (2017) [https://doi.org/10.1063/1.4996204] Supplementary material
5. Zhijun Zhang, Xinzijian Liu, Zifei Chen, Haifeng Zheng, Kangyu Yan, Jian Liu, "A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics", Journal of Chemical Physics, 147, 034109 (2017) [http://dx.doi.org/10.1063/1.4991621] Supplementary material
6. Jian Liu,"Isomorphism between the multi-state Hamiltonian and the second-quantized many-electron Hamiltonian with only 1-electron interactions", Journal of Chemical Physics, 146, 024110 (2017) [http://dx.doi.org/10.1063/1.4973708]
7. Jian Liu,"A unified theoretical framework for mapping models for the multi-state Hamiltonian", Journal of Chemical Physics, 145, 204105 (2016) [http://dx.doi.org/10.1063/1.4967815]
8. Jian Liu, Dezhang Li, Xinzijian Liu, "A simple and accurate algorithm for path integral molecular dynamics", Journal of Chemical Physics, 145, 024103 (2016) [http://dx.doi.org/10.1063/1.4954990] Supplementary material
9. Jian Liu, Zhijun Zhang, "Path integral Liouville dynamics: Applications to infrared spectra of OH, water, ammonia, and methane", Journal of Chemical Physics, 144, 034307 (2016) [http://dx.doi.org/10.1063/1.4939953]
10. Lihong Liu, Jian Liu, Todd Martinez, "Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CASPT2 for a Model trans-Protonated Schiff Base", Journal of Physical Chemistry B, 120, 1940 (2016) [http://dx.doi.org/10.1021/acs.jpcb.5b09838] Supporting Information
11. Jian Liu, Dezhang Li, Xinzijian Liu, "Further study of path integral Liouville dynamics", Scientia Sinica Chimica, 46, 27 (2016) [http://dx.doi.org/10.1360/N032015-00143 Invited article for the special issue for the Festschrift for Professor Lemin Li's 80th birthday]

Recent Invited Talks (in conferences)

1. The 8th Asia-Pacific Conference of Theoretical and Computational Chemistry, December 15-17, 2017, Mumbai, India
2. Workshop on Nonlinear Optical Spectroscopy and Dynamics of Complex Systems (in honor of Shaul Mukamel's 69th birthday), December 9, 2017, Hefei, China
3. The 22nd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXII), October 16-24, 2017, Changsha
4. The 15th National Conference of Chemical Dynamics, August 18-21, 2017, Nanjing
5. Telluride Workshop "Quantum Effects in Condensed-Phase Systems", July 24-28, 2017, Telluride, Colorado, USA
6. Telluride Workshop "Spectroscopy and Dynamics of Coupled Anharmonic Vibrations of Floppy Molecular Systems", July 17-21, 2017, Telluride, Colorado, USA
7. The 13th National Conference of Quantum Chemistry (NCQC), June 8-11, 2017, Dalian
8. The 6th Chinese-French Workshop in Theoretical Chemistry, May 7-10, 2017, Xiamen
9. The 10th International Conference on Computational Physics (ICCP10), January 16-20, 2017, Macau
10. The 3rd China-Japan-Korea Workshop on Theoretical and Computational Chemistry, January 11-13, 2017, KAIST, South Korea
11. 2016 Workshop on Computational Statistical Mechanics of Complex Systems, November 25-28, 2016, Shengzhen
12. The 4th International Conference on Molecular Simulation (ICMS 2016), October 23-26, 2016, Shanghai
13. The 7th Cross-Strait Theoretical and Computational Chemistry Conference? October 14-18, 2016, Changsha, Hunan
14. 2016 International Workshop on Frontiers of Theoretical and Computational Physics and Chemistry, August 12-14, 2016, Nanchang, Jiangxi
15. The 9th Congress of the International Society for Theoretical Chemical Physics (ISTCP-IX), July 17-22, 2016, Grand Forks, North Dakota, USA
16. The 30th Annual Meeting of Chinese Chemical Society, July 1-4, 2016, Dalian, Liaoning
17. KI-Net Conference on Mathematical and Computational Methods in Quantum Chemistry, May 13-16, 2016, Yale University, New Haven, Connecticut, USA
18. The 7th Asia-Pacific Conference of Theoretical and Computational Chemistry, January 25-28, 2016, Kaohsiung, Taiwan