A Near-Neighbour Algorithm for Metropolis Monte Carlo Simulations

Mihaly Mezei

doi:10.1080/08927028808080940

A Near-Neighbour Algorithm for Metropolis Monte Carlo Simulations

Mihaly Mezei

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

A bit map based implementation of a near-neighbour algorithm to speed up Metropolis Monte Carlo simulations is described. Tests of the algorithm on dilute aqueous solutions showed 8%-22% overall reduction of computer time, depending on the system size.

Original language	English
Pages (from-to)	169-171
Number of pages	3
Journal	Molecular Simulation
Volume	1
Issue number	3
DOIs	https://doi.org/10.1080/08927028808080940
State	Published - Mar 1988
Externally published	Yes

Keywords

Monte Carlo computer simulation
bit map
near-neighbour algorithm

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10.1080/08927028808080940

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title = "A Near-Neighbour Algorithm for Metropolis Monte Carlo Simulations",

abstract = "A bit map based implementation of a near-neighbour algorithm to speed up Metropolis Monte Carlo simulations is described. Tests of the algorithm on dilute aqueous solutions showed 8\%-22\% overall reduction of computer time, depending on the system size.",

keywords = "Monte Carlo computer simulation, bit map, near-neighbour algorithm",

author = "Mihaly Mezei",

note = "Funding Information: This research was supported by NIH grant GM 24914, NSF grant CHE-8293501 and RCMI grant \# SRC5G12RR03037 from NIH to Hunter College, CUNY. Several useful discussions with Professor K. Bencsath are gratefully acknowledged. The referee is thanked for suggesting the use of molecular displacement vectors in Step 3.",

year = "1988",

month = mar,

doi = "10.1080/08927028808080940",

language = "English",

volume = "1",

pages = "169--171",

journal = "Molecular Simulation",

issn = "0892-7022",

publisher = "Taylor and Francis Ltd.",

number = "3",

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T1 - A Near-Neighbour Algorithm for Metropolis Monte Carlo Simulations

AU - Mezei, Mihaly

N1 - Funding Information: This research was supported by NIH grant GM 24914, NSF grant CHE-8293501 and RCMI grant # SRC5G12RR03037 from NIH to Hunter College, CUNY. Several useful discussions with Professor K. Bencsath are gratefully acknowledged. The referee is thanked for suggesting the use of molecular displacement vectors in Step 3.

PY - 1988/3

Y1 - 1988/3

N2 - A bit map based implementation of a near-neighbour algorithm to speed up Metropolis Monte Carlo simulations is described. Tests of the algorithm on dilute aqueous solutions showed 8%-22% overall reduction of computer time, depending on the system size.

AB - A bit map based implementation of a near-neighbour algorithm to speed up Metropolis Monte Carlo simulations is described. Tests of the algorithm on dilute aqueous solutions showed 8%-22% overall reduction of computer time, depending on the system size.

KW - Monte Carlo computer simulation

KW - bit map

KW - near-neighbour algorithm

UR - https://www.scopus.com/pages/publications/0041635218

U2 - 10.1080/08927028808080940

DO - 10.1080/08927028808080940

M3 - Article

AN - SCOPUS:0041635218

SN - 0892-7022

VL - 1

SP - 169

EP - 171

JO - Molecular Simulation

JF - Molecular Simulation

IS - 3

ER -

A Near-Neighbour Algorithm for Metropolis Monte Carlo Simulations

Abstract

Keywords

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