eprintid: 17963
rev_number: 19
userid: 1419
dir: disk0/00/01/79/63
datestamp: 2013-03-29 16:14:46
lastmod: 2019-02-02 15:56:01
status_changed: 2013-03-29 16:14:46
type: article
metadata_visibility: show
item_issues_count: 0
eprint_status: archive
creators_name: Munro, LJ
creators_name: Tharrington, A
creators_name: Jordan, KD
creators_email: 
creators_email: 
creators_email: jordan@pitt.edu
creators_id: 
creators_id: 
creators_id: JORDAN
title: Global optimization and finite temperature simulations of atomic clusters: Use of Xe<inf>n</inf>Ar<inf>m</inf> clusters as test systems
ispublished: pub
divisions: sch_as_chemistry
full_text_status: public
abstract: The large potential energy barriers separating local minima on the potential energy surface of cluster systems pose serious problems for optimization and simulation methods. This article discusses algorithms for dealing with these problems. Lennard-Jones clusters are used to illustrate the important issues. In addition, the complexities in going from one-component to binary Lennard-Jones clusters are explored. © 2001 Elsevier Science B.V. All rights reserved.
date: 2002-05-01
date_type: published
publication: Computer Physics Communications
volume: 145
number: 1
pagerange: 1 - 23
refereed: TRUE
issn: 0010-4655
id_number: 10.1016/S0010-4655(01)00430-1
citation:   Munro, LJ and Tharrington, A and Jordan, KD  (2002) Global optimization and finite temperature simulations of atomic clusters: Use of Xe<inf>n</inf>Ar<inf>m</inf> clusters as test systems.  Computer Physics Communications, 145 (1).  1 - 23.  ISSN 0010-4655     
document_url: http://d-scholarship-dev.library.pitt.edu/17963/1/licence.txt