Molecular dynamics on vector computers
type: Item
instance of: scholarly article
title: Molecular dynamics on vector computers
zbMATH Open document ID: 0588.65003
DOI: 10.1016/0021-9991(85)90065-8
author: B. George
published in: Journal of Computational Physics
publication date: 1985-01-01T00:00:00Z
review text: An algorithm is developed for computer simulation of molecular dynamics. The algorithm, called the ''method of lights'', is based on sorting and on reformulating the way in which neighbor lists are constructed. It uses data structures compatible with either traditional scalar computer architecture or specialized vector statements which perform computations in parallel. The algorithm has been implemented on the CYBER 205 computer. Tests indicate that the method reduces running time over standard methods in scalar form, and that ''vectorization'' produces an order-of-magnitude decrease in execution time.
Mathematics Subject Classification ID: 65C20
Mathematics Subject Classification ID: 81V55
Mathematics Subject Classification ID: 70F99
Mathematics Subject Classification ID: 68U20
zbMATH DE Number: 3945229
zbMATH Keywords: computer simulation of molecular dynamics
zbMATH Keywords: method of lights
zbMATH Keywords: sorting
MaRDI profile type: Publication
full work available at URL: 0021-9991(85)90065-8
OpenAlex ID: W2091598703
cites work: On the computational power of pushdown automata
cites work: Q3994787
cites work: Q4137124
description: scientific article; zbMATH DE number 3945229