Multiresolution analysis in statistical mechanics. I. Using wavelets to calculate thermodynamic properties

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

Research output: Contribution to journalArticle

48 Citations (Scopus)

Abstract

Using the wavelet transform as a basis for calculations of lattice systems yielded an impressive reduction in the computational time required to obtain estimates of thermodynamic properties, at the price of modest errors in accuracy. The wavelet transform provided a systematic approach to coarse-grain systems to any level of resolution. The method produced correct results in the vicinity of fixed attractors.

Original languageEnglish (US)
Pages (from-to)4414-4423
Number of pages10
JournalJournal of Chemical Physics
Volume118
Issue number10
DOIs
StatePublished - Mar 8 2003
Externally publishedYes

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Multiresolution analysis
Statistical mechanics
statistical mechanics
wavelet analysis
Wavelet transforms
Thermodynamic properties
thermodynamic properties
estimates

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Multiresolution analysis in statistical mechanics. I. Using wavelets to calculate thermodynamic properties. / Ismail, Ahmed E.; Rutledge, Gregory C.; Stephanopoulos, George.

In: Journal of Chemical Physics, Vol. 118, No. 10, 08.03.2003, p. 4414-4423.

Research output: Contribution to journalArticle

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