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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

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Título: Zeolite structure determination using genetic algorithms and geometry optimisation
Autor: Liu, Xuehua Valero Cubas, Soledad Argente, Estefanía Sastre Navarro, Germán Ignacio
Entidad UPV: 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
Fecha difusión:
Resumen:
[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 ...[+]
Palabras clave: Crystal-Structure solution , Framework density , Computer-Program , Enumeration , Prediction , Simulation , Units
Derechos de uso: Reserva de todos los derechos
Fuente:
Faraday Discussions. (issn: 1359-6640 )
DOI: 10.1039/C8FD00035B
Editorial:
The Royal Society of Chemistry
Versión del editor: https://doi.org/10.1039/C8FD00035B
Código del Proyecto:
info:eu-repo/grantAgreement/MINECO//SEV-2016-0683/
info:eu-repo/grantAgreement/MINECO//CTQ2015-70126-R/ES/DISEÑO DE CATALIZADORES ZEOLITICOS PARA LA OPTIMIZACION DE PROCESOS QUIMICOS DE INTERES INDUSTRIAL/
info:eu-repo/grantAgreement/MINECO//MAT2015-71842-P/ES/SINTESIS Y CARACTERIZACION AVANZADA DE NUEVOS MATERIALES ZEOLITICOS Y APLICACIONES EN ADSORCION, MEDIOAMBIENTE Y EN LA CONSERVACION DE ALIMENTOS/
Agradecimientos:
G. S. thanks the Spanish government for the provision of the Severo Ochoa (SEV 2016-0683), CTQ2015-70126-R and MAT2015-71842-P projects.
Tipo: Artículo

References

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