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Zeolite structure determination using genetic algorithms and geometry optimisation

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Zeolite structure determination using genetic algorithms and geometry optimisation

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Liu, X.; Valero Cubas, S.; Argente, E.; Sastre Navarro, GI. (2018). Zeolite structure determination using genetic algorithms and geometry optimisation. Faraday Discussions. 211:103-115. https://doi.org/10.1039/C8FD00035B

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/144811

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Title: Zeolite structure determination using genetic algorithms and geometry optimisation
Author: Liu, Xuehua Valero Cubas, Soledad Argente, Estefanía Sastre Navarro, Germán Ignacio
UPV Unit: Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Universitat Politècnica de València. Departamento de Sistemas Informáticos y Computación - Departament de Sistemes Informàtics i Computació
Issued date:
Abstract:
[EN] The recently presented software zeoGAsolver is discussed, which is based on genetic algorithms, with domain-dependent crossover and selection operators that maintain the size of the population in successive iterations ...[+]
Subjects: Crystal-Structure solution , Framework density , Computer-Program , Enumeration , Prediction , Simulation , Units
Copyrigths: Reserva de todos los derechos
Source:
Faraday Discussions. (issn: 1359-6640 )
DOI: 10.1039/C8FD00035B
Publisher:
The Royal Society of Chemistry
Publisher version: https://doi.org/10.1039/C8FD00035B
Project ID:
MINECO/SEV 2016-0683
MINECO/CTQ2015-70126-R
Ministerio de Economía y Competitividad y Fondo Europeo de Desarrollo Regional (FEDER)/MAT2015-71842-P (MINECO/FEDER)
Thanks:
G. S. thanks the Spanish government for the provision of the Severo Ochoa (SEV 2016-0683), CTQ2015-70126-R and MAT2015-71842-P projects.
Type: Artículo

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