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

Yao Y X; Wang C Z; Ho K M . 2012. The Benchmark of Gutzwiller Density Functional Theory in Hydrogen Systems. International Journal of Quantum Chemistry. 112:240-246. abstract
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Ji M; Umemoto K; Wang C Z; Ho K M; Wentzcovitch R M . 2011. Ultrahigh-pressure phases of H(2)O ice predicted using an adaptive genetic algorithm. Physical Review B. 84:220105. abstract
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Yao Y X; Schmalian J; Wang C Z; Ho K M; Kotliar G . 2011. Comparative study of the electronic and magnetic properties of BaFe(2)As(2) and BaMn(2)As(2) using the Gutzwiller approximation. Physical Review B. 84:245112. abstract
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Liu X J; Wang C Z; Hupalo M; Lu W C; Thiel P A; Ho K M; Tringides M C . 2011. Fe-Fe adatom interaction and growth morphology on graphene. Physical Review B. 84:235446. abstract
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Hebert K R; Zhang G P; Ho K M; Wang C Z . 2011. Modeling electrochemical and metal-phase processes during alkaline aluminum corrosion. Electrochimica Acta. 58:203-208. abstract
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Song W; Lu W C; Wang C Z; Ho K M . 2011. Magnetic and electronic properties of the nickel clusters Ni(n) (n <= 30). Computational and Theoretical Chemistry. 978:41-46. abstract
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Fang X W; Wang C Z; Hao S G; Kramer M J; Yao Y X; Mendelev M I; Ding Z J; Napolitano R E; Ho K M . 2011. Spatially Resolved Distribution Function and the Medium-Range Order in Metallic Liquid and Glass. Scientific Reports. 1:194. abstract
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Wu S; Fang X W; Wang S Y; Wang C Z; Yao Y X; Ho K M; Ding Z J; Chen L Y . 2011. Fluctuation between icosahedral and body-centered-cube short-range orders in undercooled Zr liquid. Journal of Applied Physics. 110:103518. abstract
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Fang X W; Zhang G P; Yao Y X; Wang C Z; Ding Z J; Ho K M . 2011. Electronic transport in large systems through a QUAMBO-NEGF approach: Application to atomic carbon chains. Physics Letters A. 375:3710-3715. abstract
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Wu S; Kramer M J; Fang X W; Wang S Y; Wang C Z; Ho K M; Ding Z J; Chen L Y . 2011. Structural and dynamical properties of liquid Cu(80)Si(20) alloy studied experimentally and by ab initio molecular dynamics simulations. Physical Review B. 84:134208. abstract
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