Cai-Zhuang Wang

Scientist II
A506 Zaffarano Hall
Iowa State University
Ames, IA 50011
Phone 515-294-6934
Fax 515-294-0689

Research Interests

  • Condensed matter physics and computational materials science
  • develop tight-binding potentials and tight-binding molecular dynamics method for materials simulations
  • atomistic modeling and simulation study of structural, dynamical and electronic properties as well as phase transformation of condensed matter systems and molecules, including:
    • liquid and amorphous materials
    • defects
    • surfaces
    • clusters
    • biological molecules
  • develop genetic algorithm for global structure optimization and Gutzwiller density functional theory and computational code for studying ground state energy and properties of strongly correlated electron systems
  • ab initio calculation and tight-binding molecular dynamics simulation studies of formations, structures, and stabilities of surface-based nanostructures

        Project Affiliations:

(Chronologically most recent on top)Education

  • Ph.D. Condensed Matter Physics, Intl. School for Adv. Studies (SISSA), Trieste, Italy, 1986
  • B.S. Physics, University of Science and Technology of China, Hefei, China, 1982

(Chronologically most recent on top)Professional Appointments

  • 2008 Senior Scientist, Ames Laboratory
  • 1996 - 2008 Physicist, Ames Laboratory
  • 1992 - 1996 Associate Physicist, Ames Laboratory
  • 1987 - 1992 Postdoctoral Fellow, Ames Laboratory and Microelectronics Research Center, Iowa State University
  • 1987 Postdoctoral Fellow, International School for Advanced Studies, Trieste, Italy

(Chronologically most recent on top)Honors & Awards

  • 1996 U.S. D.O.E. Materials Science award for Sustained Outstanding Research in Solid State Physics

(Chronologically most recent on top)Publications with the Ames Laboratory

Nguyen M C; Zhao X; Wang Y G; Wang C Z; Ho K M . 2014. Genetic algorithm prediction of crystal structure of metastable Si-IX phase. Solid State Communications. 182:14-16. abstract
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Debela T T; Wang X D; Cao Q P; Zhang D X; Wang S Y; Wang C Z; Jiang J Z . 2014. Atomic structure evolution during solidification of liquid niobium from ab initio molecular dynamics simulations. Journal of Physics-Condensed Matter. 26:055004. abstract
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Zhang F; Mendelev M I; Zhang Y; Wang C Z; Kramer M J; Ho K M . 2014. Effects of sub-T-g annealing on Cu64.5Zr35.5 glasses: A molecular dynamics study. Applied Physics Letters. 104:061905. abstract
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Fang X W; Huang L; Wang C Z; Ho K M; Ding Z J . 2014. Structure of Cu64.5Zr35.5 metallic glass by reverse Monte Carlo simulations. Journal of Applied Physics. 115:053522. abstract
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Wu S Q; Ji M; Wang C Z; Nguyen M C; Zhao X; Umemoto K; Wentzcovitch R M; Ho K M . 2014. An adaptive genetic algorithm for crystal structure prediction. Journal of Physics-Condensed Matter. 26:035402. abstract
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Yao Y X; Liu J; Wang C Z; Ho K M . 2014. Correlation matrix renormalization approximation for total-energy calculations of correlated electron systems. Physical Review B. 89:045131. abstract
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Zhao X; Nguyen M C; Zhang W Y; Wang C Z; Kramer M J; Sellmyer D J; Li X Z; Zhang F; Ke L Q; Antropov V P; Ho K M . 2014. Exploring the Structural Complexity of Intermetallic Compounds by an Adaptive Genetic Algorithm. Physical Review Letters. 112:045502. abstract
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Shen B; Liu C Y; Jia Y; Yue G Q; Ke F S; Zhao H B; Chen L Y; Wang S Y; Wang C Z; Ho K M . 2014. Molecular dynamics simulation studies of structural and dynamical properties of rapidly quenched Al. Journal of Non-Crystalline Solids. 383:13-20. abstract
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Liu X J; Wang C Z; Hupalo M; Lin H Q; Ho K M; Tringides M C . 2014. Quantum confinement induced oscillatory electric field on a stepped Pb(111) film and its influence on surface reactivity. Physical Review B. 89:041401. abstract
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Yuen C D; Miller G J; Lei H P; Wang C Z; Thiel P A . 2013. Structure of the clean Gd5Ge4(010) surface. Journal of Physics-Condensed Matter. 25:485002. abstract
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