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

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

doi:10.1109/ACC.2004.182367

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

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

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

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.

Original language	English (US)
Title of host publication	Proceedings of the 2004 American Control Conference (AAC)
Pages	920-925
Number of pages	6
DOIs	https://doi.org/10.1109/ACC.2004.182367
State	Published - Nov 29 2004
Externally published	Yes
Event	Proceedings of the 2004 American Control Conference (AAC) - Boston, MA, United States Duration: Jun 30 2004 → Jul 2 2004

Publication series

Name	Proceedings of the American Control Conference
Volume	1
ISSN (Print)	0743-1619

Other

Other	Proceedings of the 2004 American Control Conference (AAC)
Country/Territory	United States
City	Boston, MA
Period	6/30/04 → 7/2/04

ASJC Scopus subject areas

Electrical and Electronic Engineering

Access to Document

10.1109/ACC.2004.182367

Cite this

A new wavelet-based paradigm for hierarchical coarse-graining applied to materials modeling. / Ismail, Ahmed E.; Rutledge, Gregory C.; Stephanopoulos, George.
Proceedings of the 2004 American Control Conference (AAC). 2004. p. 920-925 (Proceedings of the American Control Conference; Vol. 1).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Ismail, AE, Rutledge, GC & Stephanopoulos, G 2004, A new wavelet-based paradigm for hierarchical coarse-graining applied to materials modeling. in Proceedings of the 2004 American Control Conference (AAC). Proceedings of the American Control Conference, vol. 1, pp. 920-925, Proceedings of the 2004 American Control Conference (AAC), Boston, MA, United States, 6/30/04. https://doi.org/10.1109/ACC.2004.182367

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N2 - 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.

AB - 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.

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

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