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Pattern recognition in molecular dynamics. [FORTRAN]

Abstract

An algorithm for the recognition of the formation of bound molecular states in the computer simulation of a dilute gas is presented. Applications to various related problems in physics and chemistry are pointed out. Data structure and decision processes are described. Performance of the FORTRAN program based on the algorithm in cooperation with the molecular dynamics program is described and the results are presented.
Authors:
Zurek, W H; Schieve, W C [1] 
  1. Texas Univ., Austin (USA)
Publication Date:
Jul 01, 1977
Product Type:
Journal Article
Reference Number:
AIX-08-338768; EDB-78-028781
Resource Relation:
Journal Name: Comput. Phys. Commun.; (Netherlands); Journal Volume: 13:2
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; COMPUTER CODES; MOLECULES; BOUND STATE; ALGORITHMS; FORTRAN; GASES; MATRICES; SIMULATION; FLUIDS; MATHEMATICAL LOGIC; PROGRAMMING LANGUAGES; 640305* - Atomic, Molecular & Chemical Physics- Atomic & Molecular Theory- (-1987)
OSTI ID:
5421162
Country of Origin:
Netherlands
Language:
English
Other Identifying Numbers:
Journal ID: CODEN: CPHCB
Submitting Site:
INIS
Size:
Pages: 75-79
Announcement Date:
Nov 01, 1977

Citation Formats

Zurek, W H, and Schieve, W C. Pattern recognition in molecular dynamics. [FORTRAN]. Netherlands: N. p., 1977. Web. doi:10.1016/0010-4655(77)90032-7.
Zurek, W H, & Schieve, W C. Pattern recognition in molecular dynamics. [FORTRAN]. Netherlands. https://doi.org/10.1016/0010-4655(77)90032-7
Zurek, W H, and Schieve, W C. 1977. "Pattern recognition in molecular dynamics. [FORTRAN]." Netherlands. https://doi.org/10.1016/0010-4655(77)90032-7.
@misc{etde_5421162,
title = {Pattern recognition in molecular dynamics. [FORTRAN]}
author = {Zurek, W H, and Schieve, W C}
abstractNote = {An algorithm for the recognition of the formation of bound molecular states in the computer simulation of a dilute gas is presented. Applications to various related problems in physics and chemistry are pointed out. Data structure and decision processes are described. Performance of the FORTRAN program based on the algorithm in cooperation with the molecular dynamics program is described and the results are presented.}
doi = {10.1016/0010-4655(77)90032-7}
journal = []
volume = {13:2}
journal type = {AC}
place = {Netherlands}
year = {1977}
month = {Jul}
}