Institute of High Performance Computing

• Directors
• Computing Science (CS)
• Electronics & Photonics (EP)
• Engineering Mechanics (EM)
• Fluid Dynamics (FD)
• Material Science & Engineering (MSE)
• IHPC Independent Investigatorship (I³)

IHPC Independent Investigatorship (I³)

ZHANG Jingyun

• Title: Scientist
• Tel: 6419 1390
• Email: zhangjy@ihpc.a-star.edu.sg

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 LiH” J. 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.