Institute of High Performance Computing

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IHPC Independent Investigatorship (I³)

ZHANG Jingyun

ZHANG Jingyun


Research Interests:

  • The physical mechanisms on electronic and structural phase transitions under high pressure with density functional theory
  • Oxygen K-edge X-ray absorption spectroscopy calculations in ice and gas hydrate
  • First principles molecular dynamics simulation in gas hydrate

Qualifications:

  • Ph.D., Physics, Nanyang Technological University 2011
  • M.S., Physics, Jilin University 2008

Published Journals/ Articles:

Journals

    • Jingyun Zhang, Zhi-Ren Xiao, and Jer-Lai Kuo, "Calculation of near K edge x-ray absorption spectra and hydrogen bond network in ice XIII under compression” J. Chem. Phys., 132, 184506 (2010)
    • Xiaofeng Fan, Dan Bing, Jingyun Zhang, Zexiang Shen, and Jer-Lai Kuo, "Predicting the hydrogen bond ordered structures of ice Ih, II, III, VI and ice VII: DFT methods with localized based set"", Comp. Mater. Sci. 49, S170 (2010) Zhang and Jer-Lai Kuo, "Phonon and elastic instabilities in rocksalt calcium oxide under pressure: A first-principles study"", J. Phys. Cond. Matt. 21, 015402 (2009)
    • Yan Yan, Jingyun Zhang, Tian Cui, Yan Li, Yanming Ma,J.Gong ,Z.G.Zong, Guangtian Zou, “First-principles study of high pressure phase transformations in Li3N” Eur. Phys. J. B, 61, 397 (2008)
    • Jingyun Zhang, Lijun Zhang, Tian Cui,,Yingli Niu, Zhi He, Yanming Ma,Guangtian Zou, “A first-principles study of electron–phonon coupling in electron-doped LiHJ. Phys. Cond. Matt. 19, 425218 (2007)
    • Jingyun Zhang, Lijun Zhang, Tian Cui, Yan Li, Zhi He, Yanming Ma,Guangtian Zou, “Phonon and Elastic instabilities in Rocksalt Alkali Hydrides under Pressure: A First-principles Study” Physical Review B 75, 104115 (2007)

     

Conferences

    • (Conference Presentation) Jingyun Zhang and Jer-lai Kuo, “Phonon and Elastic instabilities in Rocksalt Calcium Oxide under Pressure: A First-principles Study”, 3rd MRS-S Conference on Advanced Materials, Feb. 25 – 27, 2008, Singapore.
    • (Conference Presentation) Jingyun Zhang and Jer-lai Kuo, “First principles molecular dynamics study on filled ice hydrogen hydrate under pressure” Sep.5-10, 2010, 12th International Conference on the Physics and Chemistry of Ice, Sapporo, Japan.
    • (Conference Presentation) Jingyun Zhang, Jer-Lai Kuo, Toshiaki Iitaka “First principles molecular dynamics study on filled ice hydrogen hydrate under pressure”, Nov. 7-12, 2010, 5th Asian Conference on High Pressure Research, Japan.
    • (Conference Presentation) Jingyun Zhang and Jer-lai Kuo, “Oxygen K edge X-ray absorption spectra and hydrogen bond network in ice XIII under compression: an ab initio calculation” Jan. 10-11, 2010, The 4th Cross-Strait Theoretical and Computational Chemistry Conference, Kinmen, Taiwan.

This page is last updated at: 31-AUG-2011