Wu Zhongqing (吴忠庆)

  • Wu, Zhongqing


    School of Earth and Space Sciences

    University of Science and Technology of China

    Hefei, Anhui 230026, P. R. China

    Tel: 86-551-3607975

    Email: wuzq10@ustc.edu.cn 

    PhD. Tsinghua University (2003)

    M.S. Zhejiang University (2000)

    B.S. Sichuan University (1997)


    First-principles calculations of the materials properties at high pressures and temperatures

    1)    lattice dynamics, and thermodynamics properties of materials at high pressure

    2)    thermoelasticity of materials at high pressure

    3)    Phase transition, impurities effect on the materials properties


    1)Wu ZQ and Wentzcovitch R M, (2011) “Quasiharmonic thermal elasticity of crystals: an efficient analytical approach”, Physical Review B, 83, 184115

    2)Wu ZQ, Rajiv K. Kalia, Aiichiro Nakano, and Priya Vashishta (2011) “Vibrational and thermodynamic properties of β- HMX: a first-principles investigation”, Journal of Chemical Physics, 134, 204509

    3)Wu ZQ (2010) “ Calculating the anharmonic free energy from first principles” Physical Review B, 81, 172301

    4)Wentzcovitch RM, Yu YG and Wu ZQ (2010) “Thermodynamics properties and phaserelations in mantle minerals inverstigated by first principles quasiharmonic theory”, Rev Mineral. Geochem. 71, 59-98

    5)Wu ZQ, Justo JF, da Silva CRS, de Gironcoli S, and Wentzcovitch RM (2009)“Anomalous thermodynamics properties of ferropericlase throughout its spin crossover” Physical Review B, 80, 014409

    6)Wentzcovitch RM, Justo JF, Wu ZQ, da Silva CRS, Yuen DA, and Kohlstedt D (2009) “Anomalous compressibility of ferropericlase throughout the iron spin crossover”, Proceedings of the National Academy of Sciences of the United States of America 106:8447-8452

    7)Wu Z, and Wentzcovitch RM (2009)“Effective semiempirical ansatz for computing anharmonic free energies”, Physical Review B, 79, 104304

    8)Yu YG, Wu ZQ, and Wentzcovitch RM (2008) “α to β to γ transformations in Mg2SiO4”, Earth and Planet Science Letters, 273, 115

    9)Wu ZQ, Wentzcovitch RM, Umemoto K, Li BS, Hirose K, and Zheng J (2008) “PVT relations in MgO: an ultra-high PT scale for planetary sciences applications” Journal of Geophysical Research,113, B06204