I have background in physics (B.S., M.S.) and geoscience (Ph.D.), with experience mainly in materials simulation.
Current interest: First-principles equation of state, materials under high pressure
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: 15; H-index: 8
- Our paper on hydrocarbons published in Phys. Rev. E!
- Our paper on pressure-temperature phase diagram of VO2 published in Nano Lett.!
- Our PIMC paper on the equation of state of solium published in J. Chem. Phys.!
- Shuai moves to Livermore!
- Shuai gives a talk in AGU fall meeting about the mechanism of spin transition!
- Our CIDER paper on LLSVP accepted by Geophys. Res. Lett.!
- Shuai wins the prestigious Chinese Government Award for Outstanding Self-financed Students Abroad!
- [more news]
- Ph.D. 8/2011-8/2016, Earth and Planetary Science, University of California, Berkeley, USA (Advisors: Burkhard Militzer and Raymond Jeanloz)
- M.S. 9/2008-7/2011, Condensed Matter Physics, Peking University, China (Advisor: Jun-jie Shi)
- B.S. 9/2004-7/2008, Optical Infomation Science and Technology, Harbin Institute of Technology, China (Advisor: Gui-xin Tang)
- State-of-the-art Quantum Monte Carlo simulations of transition metal oxides
- Studied the equation of states, electronic structure, and atomic structure warm dense oxygen, sodium, and hydrocarbons
- Studied the iron spin transition in (Fe,Mg)O using high-pressure single-crystal X-ray diffraction
- 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
- 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
- Looked for the "hexagonal phase" of Fe-bearing MgSiO3 using ab initio random structure searching methods
- Calculated the compression behavior of MgO using Quantum Monte Carlo (QMC)
- 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)
- Investigated optical properties of InGaN alloys by combining group theory-based analysis and hybrid functional (HSE) and LDA-1/2 calculations
- Studied electronic structures of InGaN alloys, identified the atomic distribution and microscopic structures that explain the origin of the light emission
- Calculated electronic band structures and density of states of carbon nanotubes with different chiral types
CPSFM all-hands meeting, Argonne National Lab, 2017 (poster)
APS March Meeting, Baltimore, 2016 (talk);
APS March Meeting, New Orleans, 2017 (talk);
LLNL Postdoc Poster Symposium, Livermore, 2017 (poster);
Telluride School on Stochastic Approaches to Electronic Structure Calculations, Telluride, 2017 (poster).
AGU Fall Meeting, San Francisco, 2016. (talk)
CIDER summer workshop, Santa Barbara, 2014 (poster);
Electronic structure workshop, Seattle, 2015 (talk);
Materials Theory Group Seminar, Oak Ridge National Lab, 2015 (talk).
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).
EPS graduate seminar, UC Berkeley, 2014 (talk);
AGU Fall Meeting, San Francisco, 2014 (poster).
EPS graduate seminar, UC Berkeley, 2013 (talk);
AGU Fall Meeting, San Francisco, 2013 (poster);
CIDER summer workshop, Santa Barbara, 2014 (poster).
EPS graduate seminar, UC Berkeley, 2012 (talk);
AGU Fall Meeting, San Francisco, 2012 (poster);
CIDER summer workshop, Santa Barbara, 2014 (poster).
The 9th Zhongshengbiao Education Foundation Graduate Academic Forum, Beijing, 2011 (talk)
Teaching & Mentoring
- Mentor for undergraduate internship project: ab initio random structure searching, Summer/2015, UC-Berkeley
- Mentor for high-school student research projects: orbits and formation of planets, 2015, California
- Graduate Student Instructor for EPS109: Computer Simulations in Earth and Planetary Sciences, Fall/2013, UC-Berkeley
- Teaching Assistant for Quantum Mechanics (Physics undergraduate core class), Fall/2009, Peking University
- Shuai Zhang, Kevin Driver, François Soubiran, Burkhard Militzer, "First-principles Equation of State and Shock Compression Predictions of Warm Dense Hydrocarbons", Phys. Rev. E 96, 013204 (2017) (also see arXiv: physics.plasm-ph).
- Shuai Zhang, Kevin Driver, François Soubiran, Burkhard Militzer, "Equation of state and shock compression of warm dense sodium---A first-principles study", J. Chem. Phys. 146, 074505 (2017) (also see arXiv: astro-ph.SR).
- 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).
- Burkhard Militzer, Shuai Zhang, "Ab initio Simulations of Novel Superionic H2O, H2O2, and H9O4 Compounds", Phys. Rev. B (Submitted).
- 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).
- 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).
- 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).
- 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).