DOI: 10.1063/1.168420. Molecular dynamics simulation of liquids on the Connection Machine

Molecular dynamics simulation of liquids on the Connection Machine

10.1063/1.168420

Crossref journal-article

AIP Publishing

Computers in Physics (317)

Abstract

A molecular dynamics algorithm for performing large-scale simulations on the Connection Machine, a massively parallel supercomputer, is discussed. The algorithm uses a cell data structure to obtain the near neighbors of each particle as the fluid evolves. The main features of the data structure are that one processor per particle is used to integrate the equations of motion of each particle and one processor per cell is assigned to compute the interparticle forces. The results for Lennard-Jones fluids of 15 000 to 500 000 particles indicate that the algorithm scales linearly with the number of particles.

Bibliography

MelâÄuk, A. I., Giles, R. C., & Gould, H. (1991). Molecular dynamics simulation of liquids on the Connection Machine. Computers in Physics, 5(3), 311â318.

Authors 3

Andrew I. Mel’čuk (first)
Roscoe C. Giles (additional)
Harvey Gould (additional)

References 0 Referenced 15

None

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:40 a.m.)
Deposited	2 years, 2 months ago (June 23, 2023, 4:39 a.m.)
Indexed	2 months, 4 weeks ago (June 5, 2025, 8:05 a.m.)
Issued	34 years, 4 months ago (May 1, 1991)
Published	34 years, 4 months ago (May 1, 1991)
Published Print	34 years, 4 months ago (May 1, 1991)

Funders 0

None

BibTeX

@article{Mel_uk_1991, title={Molecular dynamics simulation of liquids on the Connection Machine}, volume={5}, ISSN={0894-1866}, url={http://dx.doi.org/10.1063/1.168420}, DOI={10.1063/1.168420}, number={3}, journal={Computers in Physics}, publisher={AIP Publishing}, author={Mel’čuk, Andrew I. and Giles, Roscoe C. and Gould, Harvey}, year={1991}, month=may, pages={311–318} }

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