Predicting polymeric crystal structures by evolutionary algorithms
作者： Qiang Zhu , Vinit Sharma , Artem R. Oganov , Ramamurthy Ramprasad
DOI: 10.1063/1.4897337
关键词: Chemical engineering 、 Polyethylene 、 Monomer 、 Crystal structure 、 Oxide 、 Polymer 、 Evolutionary algorithm 、 Phenylene 、 Polymer chemistry 、 Polyacetylene 、 Materials science
摘要: … The recently developed evolutionary algorithm USPEX proved to be a tool that enables … prediction of structures. Here we extend this method to predict the crystal structure of polymers by …
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arxiv.org 参考文章(62)
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