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

DOI10.1016/J.CPC.2011.01.004zbMATH Open1221.82157arXiv1101.1664OpenAlexW2110258925MaRDI QIDQ634096FDOQ634096

Authors: Jae Hwan Lee, Seungyeon Kim, Julian Lee 

Publication date: 2 August 2011

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

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.

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

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zbMATH Keywords

parallel computationexact enumerationlattice polymer

Mathematics Subject Classification ID

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

Cites Work

• Title not available (Why is that?)
• Fehlerabschätzungen und Extrapolation mit rationalen Funktionen bei Verfahren vom Richardson-Typus
• Enumeration of self-avoiding walks on the square lattice
• Square lattice
• Two-dimensional oriented self-avoiding walks with parallel contacts

Cited In (4)

• 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
• Efficient algorithm for computing exact partition functions of lattice polymer models
• Counting lattice animals: A parallel attack

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