Shuai Zhang

Postdoc Research Staff Member
Quantum Simulation Group, Lawrence Livermore National Laboratory
7000 East Ave, Livermore, CA 94550 USA

Previous position: Postdoctoral Scholar
University of California at Berkeley, Department of Earth & Planetary Science
307 McCone Hall, Berkeley, CA 94720-4767 USA
E-mail: shuai.zhang01@berkeley.edu

I have background in physics (B.S., M.S.) and geoscience (Ph.D.), with experience mainly in materials simulation.
Current interest: High-pressure mineral physics, high energy density physics
Key expertise: Parallel computing, programming, density-functional theory, molecular dynamics, finite-element methods, quantum Monte Carlo Methods; X-ray diffraction (single-crystal, powder), diamond-anvil cell (plate DAC, BX90, symmetric), laser heating
Career since: 2008; Papers: 11; H-index: 5
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News

Education

Research Experience

  1. Studied the iron spin transition in (Fe,Mg)O using high-pressure single-crystal X-ray diffraction
  2. Reported at:
    AGU Fall Meeting, San Francisco, 2016. (talk)
  3. Studied the equation of states, electronic structure, and atomic structure warm dense oxygen and sodium
  4. Reported at:
    APS March Meeting, Baltimore, 2016 (talk)
  5. Predicted new high-pressure superionic water phases (hcp,dhcp,P21/c) and calculated equation of states of superionic and liquid water using thermo-dynamic integration methods
  6. Reported at:
    CIDER summer workshop, Santa Barbara, 2014 (poster);
    Electronic structure workshop, Seattle, 2015 (talk);
    Materials Theory Group Seminar, Oak Ridge National Lab, 2015 (talk).
  7. Investigated the thermoelasticity of Fe- and Al- bearing MgSiO3 bridgmanite and post-perovskite using density functional theory molecular dynamics (DFT-MD), and predicted that the Earth's lower mantle composition resembles the pyrolitic model
  8. Reported at:
    CIPS seminar, UC Berkeley, 2015 (talk);
    EPS graduate seminar, UC Berkeley, 2015 (talk);
    Materials Theory Group Seminar, Oak Ridge National Lab, 2015 (talk);
    AGU Fall Meeting, San Francisco, 2015 (poster).
  9. Looked for the "hexagonal phase" of Fe-bearing MgSiO3 using ab initio random structure searching methods
  10. Reported at:
    EPS graduate seminar, UC Berkeley, 2014 (talk);
    AGU Fall Meeting, San Francisco, 2014 (poster).
  11. Calculated the compression behavior of MgO using Quantum Monte Carlo (QMC)
  12. Reported at:
    EPS graduate seminar, UC Berkeley, 2013 (talk);
    AGU Fall Meeting, San Francisco, 2013 (poster);
    CIDER summer workshop, Santa Barbara, 2014 (poster).
  13. Studied the phases of H-O compounds using ab initio random structure searching methods, predicting a novel H4O structure to be stable at above 14 Mbar and finding two new phases for H2O (P21/m, I4/mmm)
  14. Reported at:
    EPS graduate seminar, UC Berkeley, 2012 (talk);
    AGU Fall Meeting, San Francisco, 2012 (poster);
    CIDER summer workshop, Santa Barbara, 2014 (poster).
  15. Investigated optical properties of InGaN alloys by combining group theory-based analysis and hybrid functional (HSE) and LDA-1/2 calculations
  16. Studied electronic structures of InGaN alloys, identified the atomic distribution and microscopic structures that explain the origin of the light emission
  17. Reported at:
    The 9th Zhongshengbiao Education Foundation Graduate Academic Forum, Beijing, 2011 (talk)
  18. Calculated electronic band structures and density of states of carbon nanotubes with different chiral types
  19. Undergraduate thesis, rated as "Excellent"

Teaching & Mentoring

Selected Publications

  1. Shuai Zhang, Sanne Cottaar, Tao Liu, Stephen Stackhouse, Burkhard Militzer, "High-pressure, temperature elasticity of Fe- and Al-bearing MgSiO3: implications for the Earth's lower mantle", Earth Planet. Sci. Lett. 434, 264-273 (2016) (also see arXiv: physics.geo-ph).
  2. Burkhard Militzer, Shuai Zhang, "Ab initio Simulations of Novel Superionic H2O, H2O2, and H9O4 Compounds", Phys. Rev. B (Submitted).
  3. Shuai Zhang, Hugh Wilson, Kevin Driver, Burkhard Militzer, "H4O and other hydrogen-oxygen compounds at giant-planet core pressures", Phys. Rev. B 87, 024112 (2013) (also see arXiv: cond-mat).
  4. Shuai Zhang, Jun-jie Shi, Min Zhang, Mao Yang, Jia Li, "First-principles investigation on optical properties of GaN and InGaN alloys", J. Phys. D: Appl. Phys. 44, 495304 (2011).
  5. Jun-jie Shi, Shuai Zhang, Mao Yang, Shang-guo Zhu, Min Zhang, "Light emission from several-atom In-N clusters in wurtzite Ga-rich InGaN alloys and InGaN/GaN strained quantum wells", Acta Materialia 59, 2773 (2011).
  6. Shuai Zhang, Jun-jie Shi, Shang-guo Zhu, Fei Wang, Mao Yang, Zhi-qiang Bao, "Indium distribution and light emission in wurtzite InGaN alloys: Several-atom In-N clusters", Phys. Lett. A 374, 4767 (2010).