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The Activation-Relaxation Technique : ART nouveau and kinetic ART
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Mousseau, N., Béland, Laurent Karim, Brommer, Peter, Joly, Jean-François, El-Mellouhi, Fedwa, Machado-Charry, Eduardo, Marinica, Mihai-Cosmin and Pochet, Pascal (2012) The Activation-Relaxation Technique : ART nouveau and kinetic ART. Journal of Atomic, Molecular, and Optical Physics, Volume 2012 . Article number 3925278. doi:10.1155/2012/925278 ISSN 0953-4075.
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Official URL: http://dx.doi.org/10.1155/2012/925278
Abstract
The evolution of many systems is dominated by rare activated events that occur on timescale ranging from nanoseconds to the hour or more. For such systems, simulations must leave aside the full thermal description to focus specifically on mechanisms that generate a configurational change. We present here the activation relaxation technique (ART), an open-ended saddle point search algorithm, and a series of recent improvements to ART nouveau and kinetic ART, an ART-based on-the-fly off-lattice self-learning kinetic Monte Carlo method.
Item Type: | Journal Article | ||||||||
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Subjects: | Q Science > QC Physics | ||||||||
Divisions: | Faculty of Science, Engineering and Medicine > Engineering > Engineering | ||||||||
Library of Congress Subject Headings (LCSH): | High performance computing, Nanostructures, Molecular dynamics | ||||||||
Journal or Publication Title: | Journal of Atomic, Molecular, and Optical Physics | ||||||||
Publisher: | Hindawi Publishing Corporation | ||||||||
ISSN: | 0953-4075 | ||||||||
Official Date: | 2012 | ||||||||
Dates: |
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Volume: | Volume 2012 | ||||||||
Number of Pages: | 14 | ||||||||
Article Number: | Article number 3925278 | ||||||||
DOI: | 10.1155/2012/925278 | ||||||||
Status: | Peer Reviewed | ||||||||
Publication Status: | Published | ||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||
Date of first compliant deposit: | 28 July 2016 | ||||||||
Date of first compliant Open Access: | 28 July 2016 | ||||||||
Funder: | Seventh Framework Programme (European Commission) (FP7), Natural Science Foundation of Guangdong Province (NSFGP), Fonds FCAR (Québec), Canada Research Chairs (CRC), Grand équipement national de calcul intesif (Firm) (GENCI), Calcul Québec (CQ) | ||||||||
Grant number: | 2010-c2010096323 (GENCI) |
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