Modified genetic algorithms to model cluster structures in medium-size silicon clusters

Genetic algorithms (GA) were used to investigate the stable isomers of silicon clusters. In order to find the cluster structures, a semiempirical energy function was used by the GA that were further optimized using density-functional theory. A different structure with a significantly lower energy wa...

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Autores principales:	Bazterra, Víctor Eduardo, Oña, Ofelia Beatriz, Caputo, María Cristina, Ferraro, Marta Beatriz, Facelli, Julio César
Publicado:	2004
Materias:	Computational methods Crystalline materials Genetic algorithms Global optimization Isomers Molecular structure Monte Carlo methods Nanostructured materials Probability density function Quantum theory Simulated annealing Energy functions Parallel genetic algorithms (PGA) Silicon clusters Structural modifications Silicon compounds
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10502947_v69_n5B_p053202_Bazterra http://hdl.handle.net/20.500.12110/paper_10502947_v69_n5B_p053202_Bazterra
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_10502947_v69_n5B_p053202_Bazterra
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spelling	paper:paper_10502947_v69_n5B_p053202_Bazterra2023-06-08T16:02:13Z Modified genetic algorithms to model cluster structures in medium-size silicon clusters Bazterra, Víctor Eduardo Oña, Ofelia Beatriz Caputo, María Cristina Ferraro, Marta Beatriz Facelli, Julio César Computational methods Crystalline materials Genetic algorithms Global optimization Isomers Molecular structure Monte Carlo methods Nanostructured materials Probability density function Quantum theory Simulated annealing Energy functions Parallel genetic algorithms (PGA) Silicon clusters Structural modifications Silicon compounds Genetic algorithms (GA) were used to investigate the stable isomers of silicon clusters. In order to find the cluster structures, a semiempirical energy function was used by the GA that were further optimized using density-functional theory. A different structure with a significantly lower energy was found in the case of Si36. The need for global optimization schemes rather than local optimization was demonstrated by the results while searching for stable structures of medium-size silicon clusters. Fil:Bazterra, V.E. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Oña, O. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Caputo, M.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Facelli, J.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2004 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10502947_v69_n5B_p053202_Bazterra http://hdl.handle.net/20.500.12110/paper_10502947_v69_n5B_p053202_Bazterra
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Computational methods Crystalline materials Genetic algorithms Global optimization Isomers Molecular structure Monte Carlo methods Nanostructured materials Probability density function Quantum theory Simulated annealing Energy functions Parallel genetic algorithms (PGA) Silicon clusters Structural modifications Silicon compounds
spellingShingle	Computational methods Crystalline materials Genetic algorithms Global optimization Isomers Molecular structure Monte Carlo methods Nanostructured materials Probability density function Quantum theory Simulated annealing Energy functions Parallel genetic algorithms (PGA) Silicon clusters Structural modifications Silicon compounds Bazterra, Víctor Eduardo Oña, Ofelia Beatriz Caputo, María Cristina Ferraro, Marta Beatriz Facelli, Julio César Modified genetic algorithms to model cluster structures in medium-size silicon clusters
topic_facet	Computational methods Crystalline materials Genetic algorithms Global optimization Isomers Molecular structure Monte Carlo methods Nanostructured materials Probability density function Quantum theory Simulated annealing Energy functions Parallel genetic algorithms (PGA) Silicon clusters Structural modifications Silicon compounds
description	Genetic algorithms (GA) were used to investigate the stable isomers of silicon clusters. In order to find the cluster structures, a semiempirical energy function was used by the GA that were further optimized using density-functional theory. A different structure with a significantly lower energy was found in the case of Si36. The need for global optimization schemes rather than local optimization was demonstrated by the results while searching for stable structures of medium-size silicon clusters.
author	Bazterra, Víctor Eduardo Oña, Ofelia Beatriz Caputo, María Cristina Ferraro, Marta Beatriz Facelli, Julio César
author_facet	Bazterra, Víctor Eduardo Oña, Ofelia Beatriz Caputo, María Cristina Ferraro, Marta Beatriz Facelli, Julio César
author_sort	Bazterra, Víctor Eduardo
title	Modified genetic algorithms to model cluster structures in medium-size silicon clusters
title_short	Modified genetic algorithms to model cluster structures in medium-size silicon clusters
title_full	Modified genetic algorithms to model cluster structures in medium-size silicon clusters
title_fullStr	Modified genetic algorithms to model cluster structures in medium-size silicon clusters
title_full_unstemmed	Modified genetic algorithms to model cluster structures in medium-size silicon clusters
title_sort	modified genetic algorithms to model cluster structures in medium-size silicon clusters
publishDate	2004
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10502947_v69_n5B_p053202_Bazterra http://hdl.handle.net/20.500.12110/paper_10502947_v69_n5B_p053202_Bazterra
work_keys_str_mv	AT bazterravictoreduardo modifiedgeneticalgorithmstomodelclusterstructuresinmediumsizesiliconclusters AT onaofeliabeatriz modifiedgeneticalgorithmstomodelclusterstructuresinmediumsizesiliconclusters AT caputomariacristina modifiedgeneticalgorithmstomodelclusterstructuresinmediumsizesiliconclusters AT ferraromartabeatriz modifiedgeneticalgorithmstomodelclusterstructuresinmediumsizesiliconclusters AT facellijuliocesar modifiedgeneticalgorithmstomodelclusterstructuresinmediumsizesiliconclusters
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Modified genetic algorithms to model cluster structures in medium-size silicon clusters

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