Conferencia
Oña, O.; Bazterra, V.E.; Caputo, M.C.; Ferraro, M.B.; Facelli, J.C. "Global optimization of atomic cluster structures using parallel genetic algorithms" (2006) Combinatorial Methods and Informatics in Materials Science. 894:277-282
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Abstract:
The study of the structure and physical properties of atomic clusters is an extremely active area of research due to their importance, both in fundamental science and in applied technology. For medium size atomic clusters most of the structures reported today have been obtained by local optimizations of plausible structures using DFT (Density Functional Theory) methods and/or by global optimizations in which much more approximate methods are used to calculate the cluster's energetics. Our previous work shows that these approaches can not be reliably used to study atomic cluster structures and that approaches based on global optimization schemes are needed. In this paper, we report the implementation and application of a parallel Genetic Algorithm (GA) to predict the structure of medium size atomic clusters. © 2006 Materials Research Society.
Registro:
| Documento: | Conferencia |
| Título: | Global optimization of atomic cluster structures using parallel genetic algorithms |
| Autor: | Oña, O.; Bazterra, V.E.; Caputo, M.C.; Ferraro, M.B.; Facelli, J.C. |
| Ciudad: | Boston, MA |
| Filiación: | Center for High Performance Computing, University of Utah, 155 South 1452 East, Salt Lake City, UT 84112-0190, United States Departamento de Física, Universidad de Buenos Aires, Ciudad Universitaria, Pab. I (1428), Buenos Aires, Argentina |
| Palabras clave: | Atomic clusters; Cluster's energetics; Local optimizations; Approximation theory; Atoms; Genetic algorithms; Global optimization; Optimization; Probability density function; Crystal structure |
| Año: | 2006 |
| Volumen: | 894 |
| Página de inicio: | 277 |
| Página de fin: | 282 |
| Título revista: | Combinatorial Methods and Informatics in Materials Science |
| Título revista abreviado: | Mater Res Soc Symp Proc |
| ISSN: | 02729172 |
| CODEN: | MRSPD |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_02729172_v894_n_p277_Ona |
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Citas:
---------- APA ----------
Oña, O., Bazterra, V.E., Caputo, M.C., Ferraro, M.B. & Facelli, J.C. (2006) . Global optimization of atomic cluster structures using parallel genetic algorithms. Combinatorial Methods and Informatics in Materials Science, 894, 277-282.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_02729172_v894_n_p277_Ona [ ]
---------- CHICAGO ----------
Oña, O., Bazterra, V.E., Caputo, M.C., Ferraro, M.B., Facelli, J.C. "Global optimization of atomic cluster structures using parallel genetic algorithms" . Combinatorial Methods and Informatics in Materials Science 894 (2006) : 277-282.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_02729172_v894_n_p277_Ona [ ]
---------- MLA ----------
Oña, O., Bazterra, V.E., Caputo, M.C., Ferraro, M.B., Facelli, J.C. "Global optimization of atomic cluster structures using parallel genetic algorithms" . Combinatorial Methods and Informatics in Materials Science, vol. 894, 2006, pp. 277-282.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_02729172_v894_n_p277_Ona [ ]
---------- VANCOUVER ----------
Oña, O., Bazterra, V.E., Caputo, M.C., Ferraro, M.B., Facelli, J.C. Global optimization of atomic cluster structures using parallel genetic algorithms. Mater Res Soc Symp Proc. 2006;894:277-282.Available from: https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_02729172_v894_n_p277_Ona [ ]
