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MPiSIM: Massively parallel simulation tool for metallic system

Qi, Yue and Çağin, Tahir and Goddard, William A., III (2001) MPiSIM: Massively parallel simulation tool for metallic system. Journal of Computer-Aided Materials Design, 8 (2/3). pp. 185-192. ISSN 0928-1045. doi:10.1023/a:1020030329839.

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We report a domain decomposition molecular dynamics (MD) for simulation on metallic systems based on distributed parallel computers. The method is a development of a spatial decomposition in 3-D space with the combination of link-cell and neighbor list techniques for enhanced efficiency. The algorithm has been successfully implemented on the Origin2000, Wolf, HP Examplar etc. various platforms. The scaling performance on these platforms will be discussed and several applications in metallic systems will also be given in the paper.

Item Type:Article
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URLURL TypeDescription
Çağin, Tahir0000-0002-3665-0932
Goddard, William A., III0000-0003-0097-5716
Additional Information:© Kluwer Academic Publishers 2001. Received 20 March 2001; Accepted 30 October 2001.
Subject Keywords:Metal; Molecular dynamics; Parallel computations
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Other Numbering System NameOther Numbering System ID
Issue or Number:2/3
Record Number:CaltechAUTHORS:20190816-144341353
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Official Citation:Qi, Y., Çağin, T. & Goddard, W.A. Journal of Computer-Aided Materials Design (2001) 8: 185.
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:97975
Deposited By: George Porter
Deposited On:21 Aug 2019 20:57
Last Modified:16 Nov 2021 17:35

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