Using a novel parallel genetic hybrid algorithm to generate and determine new zeolite frameworks

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• 作者：Omar Abdelkafi^a ; ^{omarabd.recherche@gmail.com} ; ^{omar.abdelkafi@uha.fr} ; Lhassane Idoumghar^a ; Julien Lepagnot^a ; Jean-Louis Paillaud^b ; Irena Deroche^c ; Laurent Baumes^d ; Pierre Collet^e
• 关键词：Genetic algorithm ; Zeolites ; Structure evaluation ; New topologies
• 刊名：Computers & Chemical Engineering
• 出版年：2017
• 出版时间：4 March 2017
• 年：2017
• 卷：98
• 期：Complete
• 页码：50-60
• 全文大小：3507 K
• 卷排序：98

文摘

We propose a parallel genetic hybrid algorithm to solve the zeolite structure problem. A new objective function is proposed to evaluate the zeolite framework. 6 stable structures of which 3 unknown topologies have been found.