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刘剑当前位置: 北京大学化学与分子工程学院课题组物理化学刘剑

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


Tel: +86-10-62759052
E-mail: jianliupku AT pku.edu.cn
Reaserch Group Webpage: www.chem.pku.edu.cn/liujian/

Education

• B.S. in Polymer Science and Engineering, University of Science & Technology of China, 2000
• Ph.D. in Chemistry, University of Illinois at Urbana-Champaign, 2005. Advisor: Prof. Nancy Makri

Research Experience

• Postdoc with Prof. William H. Miller, University of California, Berkeley, September 2005-August 2010
• Research Associate with Prof. William H. Miller, University of California, Berkeley, September 2010-August 2011.
• Research Associate with Prof. Todd J. Martinez, Stanford University, September 2011-2012

Selected Honors and Awards

• Guo Moruo Scholarship(郭沫若奖学金) (University of Science & Technology of China), 1999
• Drickamer Fellowship (University of Illinois at Urbana-Champaign), 2003
• NERSC Initiative for Scientific Exploration (NISE) Award, 2011
• American Chemical Society Physical Chemistry Division Postdoctoral Research Award, 2012
• Recruitment Program of Global Experts (National "Thousand Young Talents Program", 青年千人计划), 2012
• 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
• Peking University Teaching Award, 2016

Recent Publications

  1. Dezhang Li, Xu Han, Yichen Chai, Cong Wang, Zifei Chen, Zhijun Zhang, Jian Liu, Jiushu Shao, "Stationary state distribution and efficiency analysis of the Langevin equation via real or virtual dynamics", (submitted)
  2. 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]
  3. 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]
  4. 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]
  5. 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]
  6. 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]
  7. 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]

Recent Invited Talks

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