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Optimized analysis of isotropic high-nuclearity spin clusters with GPU acceleration

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Optimized analysis of isotropic high-nuclearity spin clusters with GPU acceleration

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Lamas Daviña, A.; Ramos Peinado, E.; Román Moltó, JE. (2016). Optimized analysis of isotropic high-nuclearity spin clusters with GPU acceleration. Computer Physics Communications. 209:70-78. doi:10.1016/j.cpc.2016.08.014

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Title: Optimized analysis of isotropic high-nuclearity spin clusters with GPU acceleration
Author: Lamas Daviña, Alejandro Ramos Peinado, Enrique Román Moltó, José Enrique
UPV Unit: Universitat Politècnica de València. Departamento de Sistemas Informáticos y Computación - Departament de Sistemes Informàtics i Computació
Universitat Politècnica de València. Escola Tècnica Superior d'Enginyeria Informàtica
Issued date:
Abstract:
The numerical simulation of molecular clusters formed by a finite number of exchange-coupled paramagnetic centers is very relevant for many applications, modeling systems between molecules and extended solids. In the ...[+]
Subjects: Molecular magnetism , High-nuclearity spin clusters , Large-scale eigenvalue problem , Graphics processing units (GPUs)
Copyrigths: Reserva de todos los derechos
Source:
Computer Physics Communications. (issn: 0010-4655 )
DOI: 10.1016/j.cpc.2016.08.014
Publisher:
Elsevier
Publisher version: http://dx.doi.org/10.1016/j.cpc.2016.08.014
Project ID:
Spanish Ministry of Economy and Competitiveness/ TIN2013-41049-P
Spanish Ministry of Education, Culture and Sports/ FPU13-06655
Description: This is the author’s version of a work that was accepted for publication in Computer Physics Communications. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Computer Physics Communications, vol. 209, (2016). DOI 10.1016/j.cpc.2016.08.014.
Thanks:
This work was partially supported by the Spanish Ministry of Economy and Competitiveness under grant TIN2013-41049-P. Alejandro Lamas Davina was supported by the Spanish Ministry of Education, Culture and Sports through a ...[+]
Type: Artículo

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