| 学术论文：15. Zhang ZG and Liu ZR. (2014) High pressure equation of state for molten CaCO3 from first principles simulations. Chinese Journal of Geochemistry. Accepted.14. Zhang ZG, Stixrude L, Brodholt, J. (2013) Elastic properties of MgSiO3-perovskite under lower mantle conditions and the composition of the deep Earth. Earth and Planetary Science Letters, 379: 1-12.13. Cui H, Zhang ZG, Zhang YG. (2013) The effect of Si and S on the stability of bcc iron with respect to tetragonal strain at the Earths inner core conditions. Geophysical Research Letters, 40: 2958-2962.12. Mao SD, Duan ZH, Hu JW, Zhang ZG and Shi LL. (2011) Extension of the IAPWS-95 formulation and an improved calculation approach for saturated properties. Physics of the Earth and Planetary Interiors, 185: 53-60.11. Cui H, Duan ZH, Zhang ZG. (2010) Prediction of the composition and structure of the Earths inner core from the first principle calculation. Acta Petrologica Sinica, 26(4): 1322-1328.10. Li MY, Duan ZH, Zhang ZG, et al. (2008) The structure, dynamics and solvation mechanisms of ions in water from long time molecular dynamics simulations: a case study of CaCl2 (aq) aqueous solutions. Molecular Physics, 106 (24): 2685-2697.9. Zhang C, Duan ZH, Zhang ZG. (2007) Molecular dynamics simulation of the CH4 and CH4-H2O systems up to 10 GPa and 2573 K. Geochimica et Cosmochimica Acta, 71 (8): 2036-2055.8. Song YC, Zhang ZG, Hu WX, et al. (2007) Molecular dynamics simulation of Fe2+ hydration process using the L-J(12/6) interaction potential model. Chinese Journal of Inorganic Chemistry, 23 (4): 602-610.7. Duan ZH, Zhang ZG. (2006) Equation of state of the H2O, CO2, and H2O-CO2 systems up to 10 GPa and 2573.15 K: Molecular dynamics simulations with ab initio potential surface. Geochimica et Cosmochimica Acta, 70 (9): 2311-2324.6. Zhang ZG, Duan ZH. (2005) An optimized molecular potential for carbon dioxide. Journal of Chemical Physics, 122 (21): 214507.5. Zhang ZG, Duan ZH. (2005) Prediction of the PVT properties of water over wide range of temperatures and pressures from molecular dynamics simulation. Physics of the Earth and Planetary Interiors, 149 (3-4): 335-354.4. Mao SD, Zhang ZG, Hu JW, et al. (2005) An accurate model for calculating C2H6 solubility in pure water and aqueous NaCl solutions. Fluid Phase Equilibria, 238 (1): 77-86.3. Zhang ZG, Duan ZH. (2004) Lithium chloride ionic association in dilute aqueous solution: a constrained molecular dynamics study. Chemical Physics, 297 (1-3): 221-233.2. Duan ZH, Zhang ZG. (2003) Solvation properties of Li+ and Cl- in water: molecular dynamics simulation with a non-rigid model. Molecular Physics, 101 (10): 1501-1510.1. Zhang ZG, Duan ZH. (2002) Phase equilibria of the system methane-ethane from temperature scaling Gibbs Ensemble Monte Carlo simulation. Geochimica et Cosmochimica Acta, 66 (19): 3431-3439.会议论文及摘要：4. Zhang ZG, John Brodholt, Stixrude L. (2013) Melting of lower mantle mineral assemblages from first principles simulations. AOGS, Brisbane, Australia.3. Zhang ZG, Stixrude L. (2012) Vaporization of liquid MgSiO3 from first principles molecular dynamics simulations and implications for the planetary impacts. JpGU, Makuhari Messe.2. Zhang ZG, Stixrude L, Brodholt J. (2010) Elastic Properties of MgSiO3-Perovskite under Lower Mantle Conditions Revisited. AGU Fall Meeting, San Francisco.1. Zhang ZG, Duan ZH. (2007) Molecular level simulations of the H2O, CO2 and CO2-H2O systems up to high temperatures and pressures. Geochimica et Cosmochimica Acta, 71 (15): A1164-A1164.------------培养硕博士研究生：崔航，2013年12月博士毕业，合作培养，目前为英国伦敦大学学院博士后；李丁，2013年6月硕士毕业，目前在IBM GBS总部工作；刘在荣，2014年6月硕士毕业，已获国家留学基金委公派研究生项目资助。 |
