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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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_10502947_v69_n5B_p053202_Bazterra |
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todo:paper_10502947_v69_n5B_p053202_Bazterra2023-10-03T15:59:39Z Modified genetic algorithms to model cluster structures in medium-size silicon clusters Bazterra, V.E. Oña, O. Caputo, M.C. Ferraro, M.B. Fuentealba, P. Facelli, J.C. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar 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, V.E. Oña, O. Caputo, M.C. Ferraro, M.B. Fuentealba, P. Facelli, J.C. 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. |
| format |
JOUR |
| author |
Bazterra, V.E. Oña, O. Caputo, M.C. Ferraro, M.B. Fuentealba, P. Facelli, J.C. |
| author_facet |
Bazterra, V.E. Oña, O. Caputo, M.C. Ferraro, M.B. Fuentealba, P. Facelli, J.C. |
| author_sort |
Bazterra, V.E. |
| 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 |
| url |
http://hdl.handle.net/20.500.12110/paper_10502947_v69_n5B_p053202_Bazterra |
| work_keys_str_mv |
AT bazterrave modifiedgeneticalgorithmstomodelclusterstructuresinmediumsizesiliconclusters AT onao modifiedgeneticalgorithmstomodelclusterstructuresinmediumsizesiliconclusters AT caputomc modifiedgeneticalgorithmstomodelclusterstructuresinmediumsizesiliconclusters AT ferraromb modifiedgeneticalgorithmstomodelclusterstructuresinmediumsizesiliconclusters AT fuentealbap modifiedgeneticalgorithmstomodelclusterstructuresinmediumsizesiliconclusters AT facellijc modifiedgeneticalgorithmstomodelclusterstructuresinmediumsizesiliconclusters |
| _version_ |
1807317504859570176 |