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
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