发表论文
[1] Zhijun Zhang, Xinzijian Liu, Kangyu Yan, Mark Tuckerman, Jian Liu. “Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics”, Journal of Physical Chemistry A, 123(28), 6056-6079 (2019). DOI: 10.1021/acs.jpca.9b02771
[2] Zhijun Zhang, Kangyu Yan, Xinzijian Liu, Jian Liu. “A leap-frog algorithm-based efficient unified thermostat scheme via molecular dynamics”, Chinese Science Bulletin，63(33), 3467-3483 (2018). DOI: 10.1360/N972018-00908.
[3] 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, 735-760 (2017). DOI: 10.1063/1674-0068/30/cjcp1711223.
[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). DOI: 10.1063/1.4996204.
[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). DOI: 10.1063/1.4991621.
[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). DOI: 10.1063/1.4939953.
[7] Zhijun Zhang, Bin Li, Zhitao Shen, Yinghui Ren, Wensheng Bian. “Efficient quantum calculation of the vibrational states of acetylene”, Chemical Physics, 400, 1–7 (2012). DOI: 10.1016/j.chemphys.2012.01.010.
[8] Jianwei Cao, Zhijun Zhang, Chunfang Zhang, Wensheng Bian, Yin Guo. “Kinetic study on the H+SiH4 abstraction reaction using an ab initio potential energy surface”, Journal of Chemical Physics, 134, 024315 (2011). DOI: 10.1063/1.3521477.
[9] Zhijun Zhang, Haitao Ma, Wensheng Bian. “Accurate quantum mechanical study of the Renner-Teller effect in the singlet CH2”, Journal of Chemical Physics, 135, 154303 (2011). DOI: 10.1063/1.3651081.
[10] Jianwei Cao, Zhijun Zhang, Chunfang Zhang, Kun Liu, Manhui Wang, Wensheng Bian. “Quasiclassical trajectory study of H+SiH4 reactions in full-dimensionality reveals atomic-level mechanisms”. Proceedings of the National Academy of Sciences of the United States of America, 106, 13180–13185 (2009).DOI: 10.1073/pnas.0903934106.
