• Title of article

    Multiscale modeling and related hybrid approaches

  • Author/Authors

    Wang، نويسنده , , C.Y. and Zhang، نويسنده , , Xu، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2006
  • Pages
    13
  • From page
    2
  • To page
    14
  • Abstract
    The general representation about the multiscale modeling and related approaches is briefly reported. The hybrid schemes for coupling between quantum mechanics and molecular mechanics subsystem are introduced and reviewed focusing on recent progress involving the density functional theory based formalism and the methodology of scaled position method as well as scaled position link atom method. The hybrid approaches have important theoretical sense and application potential, especially, for the fields of materials science. Concurrently the hybrid energy density method – density functional-based is also reported, which is from our recent works. Finally, the look into future is briefly presented.
  • Keywords
    multiscale modeling , Hybrid approaches , Local with environment , coupling mechanism , Energy density method
  • Journal title
    Current Opinion in Solid State and Materials Science
  • Serial Year
    2006
  • Journal title
    Current Opinion in Solid State and Materials Science
  • Record number

    2089077