Ab initio global optimization of the structures of SinH, n=4-10, using parallel genetic algorithms

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The results of ab initio global optimizations of the structures of SinH, n=4-10, atomic clusters using a parallel genetic algorithm are presented. Driving the global search with the parallel implementation of the genetic algorithm are presented and using the density functional theory as implemented...

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Detalles Bibliográficos
Autores principales: Oña, Ofelia Beatriz, Bazterra, Víctor Eduardo, Caputo, María Cristina, Ferraro, Marta Beatriz, Facelli, Julio César
Publicado: 2005
Materias:
Atomic cluster energies
Carr Parinello molecular dynamics code
Density functional theory
Computational complexity
Genetic algorithms
Global optimization
Molecular dynamics
Probability density function
Crystal structure
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10502947_v72_n5_p_Ona
http://hdl.handle.net/20.500.12110/paper_10502947_v72_n5_p_Ona
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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