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

Wang C J; Guo X F; Liu D J; Evans J W . 2011. Schloegl's Second Model for Autocatalysis on a Cubic Lattice: Mean-Field-Type Discrete Reaction-Diffusion Equation Analysis. Journal of Statistical Physics. 144:1308-1328. abstract
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Hao S G; Wang C Z; Li M Z; Napolitano R E; Ho K M . 2011. Dynamic arrest and glass formation induced by self-aggregation of icosahedral clusters in Zr(1-x)Cu(x) alloys. Physical Review B. 84:064203. abstract
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Liu N; Lu N; Yao Y X; Li Y R; Wang C Z; Ho K M . 2011. Strain Effects in Ge/Si and Si/Ge Core/Shell Nanowires. Journal of Physical Chemistry C. 115:15739-15742. abstract
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Belianinov A; Unal B; Ho K M; Wang C Z; Evans J W; Tringides M C; Thiel P A . 2011. Nucleation and growth of Ag islands on the (root 3 x root 3)R30 degrees phase of Ag on Si(111). Journal of Physics-Condensed Matter. 23:265002. abstract
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Zhang J H; Wang C Z; Zhu Z Z; Dobrovitski V V . 2011. Vibrational modes and lattice distortion of a nitrogen-vacancy center in diamond from first-principles calculations. Physical Review B. 84:035211. abstract
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Fang X W; Wang C Z; Yao Y X; Ding Z J; Ho K M . 2011. Competition between fcc and icosahedral short-range orders in pure and samarium-doped liquid aluminum from first principles. Physical Review B. 83:224203. abstract
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Liu X J; Wang C Z; Yao Y X; Lu W C; Hupalo M; Tringides M C; Ho K M . 2011. Bonding and charge transfer by metal adatom adsorption on graphene. Physical Review B. 83:235411. abstract
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Huang L; Fang X W; Wang C Z; Kramer M J; Ding Z J; Ho K M . 2011. Medium-range icosahedral order in quasicrystal-forming Zr2Pd binary metallic glass. Applied Physics Letters. 98:231906. abstract
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Yao Y X; Wang C Z; Ho K M . 2011. Including many-body screening into self-consistent calculations: Tight-binding model studies with the Gutzwiller approximation. Physical Review B. 83:245139. abstract
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Fang X W; Wang C Z; Yao Y X; Ding Z J; Ho K M . 2011. Signature of Al11Sm3 fragments in undercooled Al90Sm10 liquid from ab initio molecular dynamics simulations. Journal of Physics-Condensed Matter. 23:235104. abstract
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