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

Ho K M; Schmalian J; Wang C Z . 2008. Gutzwiller density functional theory for correlated electron systems. Physical Review B. 77:073101. abstract
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Wang S; Wang C Z; Chuang F C; Morris J R; Ho K M . 2008. Ab initio molecular dynamics simulation of liquid Al88Si12 alloys (vol 122, art no 034508, 2005). Journal of Chemical Physics. 129:089901. abstract
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Sordelet D J; Ott R T; Li M Z; Wang S Y; Wang C Z; Besser M F; Liu A C Y; Kramer M J . 2008. Structure of ZrxPt100-x (73 <= x <= 77) metallic Glasses. Metallurgical and Materials Transactions a-Physical Metallurgy and Materials Science. 39A:1908-1916. abstract
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Zhao L Z; Lu W C; Qin W; Zang Q J; Wang C Z; Ho K M . 2008. Fragmentation behavior of Ge-n clusters (2 <= n <= 33). Chemical Physics Letters. 455:225-231. abstract
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Chuang F C; Hsu C H; Wang C Z; Ho K M . 2008. Honeycomb chain structure of the Au/Si(111)-(5 x 2) surface reconstruction: A first-principles study. Physical Review B. 77:153409. abstract
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Zhang W; Lu W C; Sun J; Wang C Z; Ho K M . 2008. Structures of Al-n (n=27, 28, 29 and 30) clusters with double-tetrahedron structures. Chemical Physics Letters. 455:232-237. abstract
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Chuang F C; Hsu C H; Wang C Z; Ho K M . 2008. Atomic and electronic structures of Ag/Si(111)-c(12x2) surface: A first-principles study. Physical Review B. 78:245418. abstract
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Qian X F; Li J; Qi L; Wang C Z; Chan T L; Yao Y X; Ho K M; Yip S . 2008. Quasiatomic orbitals for ab initio tight-binding analysis. Physical Review B. 78:245112. abstract
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Wang S Y; Wang C Z; Li M Z; Huang L; Ott R T; Kramer M J; Sordelet D J; Ho K M . 2008. Short- and medium-range order in a Zr73Pt27 glass: Experimental and simulation studies. Physical Review B. 78:184204. abstract
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Huang L; Lu N; Yan J A; Chou M Y; Wang C Z; Ho K M . 2008. Size- and strain-dependent electronic structures in H-passivated Si [112] nanowires. Journal of Physical Chemistry C. 112:15680-15683. abstract
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