Parallel algorithm for calculation of the exact partition function of a lattice polymer

DOI10.1016/J.CPC.2011.01.004zbMATH Open1221.82157OpenAlexW2110258925MaRDI QIDQ634096FDOQ634096

Authors Jae Hwan Lee, Seungyeon Kim, Julian Lee

Publication date 2 August 2011

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1101.1664

zbMATH Keywords

parallel computationexact enumerationlattice polymer

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Statistical mechanics of polymers (82D60)

Abstract: We develop a parallel algorithm that calculates the exact partition function of a lattice polymer, by enumerating the number of conformations for each energy level. An efficient parallelization of the calculation is achieved by classifying the conformations according to the shape of the box spanned by a conformation, and enumerating only those in a given box at a time. The calculation time for each box is reduced by preventing the conformations related by symmetries from being generated more than once. The algorithm is applied to study the collapse transition of a lattice homopolymer on a square lattice, by calculating the specific heat for chain lengths up to 36.

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Cites work

• scientific article; zbMATH DE number 274379 (Why is no real title available?)
• Enumeration of self-avoiding walks on the square lattice
• Fehlerabschätzungen und Extrapolation mit rationalen Funktionen bei Verfahren vom Richardson-Typus
• Square lattice
• Two-dimensional oriented self-avoiding walks with parallel contacts

Cited in

(5)

• Note concerning the algorithmic analysis of polymer thermodynamics
• Counting lattice animals: A parallel attack
• Efficient algorithm for computing exact partition functions of lattice polymer models
• Transfer matrix algorithm for computing the exact partition function of a square lattice polymer
• Geometrical properties of interior segments of two-dimensional lattice polymer confined in a square box

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