Unbiased Geometry Optimisation of Morse Atomic Clusters

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Title Unbiased Geometry Optimisation of Morse Atomic Clusters
Author Pullan, Wayne John
Publication Title 2010 IEEE World Congress on Computational Intelligence (WCCI 2010) Proceedings (CEC 2010)
Editor J. Aranda, S.Xambo
Year Published 2010
Place of publication Barcelona, Spain
Publisher IEEE
Abstract This paper presents the results obtained using an unbiased Population Based Search (PBS) for optimising Morse atomic clusters. PBS is able to repeatedly obtain all putative global minima for Morse clusters in the range 5 ≤ N ≤ 80, N = 147, ρ = 3,6,10, 14, as reported in the Cambridge Cluster Database. In addition, putative global minima have been established for Morse clusters in the range 81 ≤ N ≤ 146, ρ = 14. The PBS algorithm incorporates and extends key techniques that have been developed in other cluster optimisation algorithms over the last decade. Of particular importance are the use of cut and paste operators, structure niching and a new operator, Directed Optimisation, which extends the previous concept of directed mutation. In addition, PBS is able to operate in a parallel mode for optimising larger clusters.
Peer Reviewed Yes
Published Yes
Alternative URI http://dx.doi.org/10.1109/CEC.2010.5586213
Copyright Statement Copyright 2010 IEEE. Personal use of this material is permitted. However, permission to reprint/republish this material for advertising or promotional purposes or for creating new collective works for resale or redistribution to servers or lists, or to reuse any copyrighted component of this work in other works must be obtained from the IEEE.
ISBN 9781424469109
Conference name 2010 IEEE World Congress on Computational Intelligence (WCCI)
Location Barcelona, Spain
Date From 2010-07-18
Date To 2010-07-23
URI http://hdl.handle.net/10072/37281
Date Accessioned 2010-12-14
Language en_AU
Faculty Faculty of Science, Environment, Engineering and Technology
Subject Information and Computing Sciences
Publication Type Conference Publications (Full Written Paper - Refereed)
Publication Type Code e1

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