• DocumentCode
    424692
  • Title

    A new wavelet-based paradigm for hierarchical coarse-graining applied to materials modeling

  • Author

    Ismail, Ahmed E. ; Rutledge, Gregory C. ; Stephanopoulos, George

  • Author_Institution
    Dept. of Chem. Eng., MIT, Cambridge, MA, USA
  • Volume
    1
  • fYear
    2004
  • fDate
    June 30 2004-July 2 2004
  • Firstpage
    920
  • Abstract
    We outline how the wavelet transform, a hierarchical averaging scheme, can be used to perform both structural and topological coarse-graining in systems with multiscale physical behavior, such as Ising lattices and polymer models. We illustrate how to create sampling mechanisms, which we call wavelet-accelerated Monte Carlo (WAMC), to study these systems and obtain qualitative and quantitatively accurate results in orders of magnitude less time than using atomistic simulations.
  • Keywords
    Ising model; Monte Carlo methods; multidimensional systems; wavelet transforms; Ising lattices; atomistic simulation; hierarchical averaging scheme; hierarchical coarse-graining; polymer model; wavelet transform; wavelet-accelerated Monte Carlo; wavelet-based paradigm;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    American Control Conference, 2004. Proceedings of the 2004
  • Conference_Location
    Boston, MA, USA
  • ISSN
    0743-1619
  • Print_ISBN
    0-7803-8335-4
  • Type

    conf

  • Filename
    1383724