Genetic Algorithms For Structure Prediction Of New Bithiazole Molecular Crystals Methodology And Applications
نویسندگان
چکیده
منابع مشابه
Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications.
Evolutionary crystal structure prediction proved to be a powerful approach for studying a wide range of materials. Here we present a specifically designed algorithm for the prediction of the structure of complex crystals consisting of well defined molecular units. The main feature of this new approach is that each unit is treated as a whole body, which drastically reduces the search space and i...
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Diversity Control in Genetic Algorithms for Protein Structure Prediction
In recent years, there is a growing interest in using Genetic Algorithms (GAs) in the protein structure prediction problem. However, the search space in this problem is very complex, what results in premature convergence of the GAs in their standard form, as the population generally gets trapped into local optima. Based on this fact, the use of two different strategies that can help GAs to main...
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ژورنال
عنوان ژورنال: Journal of Mathematics and Computer Science
سال: 2014
ISSN: 2008-949X
DOI: 10.22436/jmcs.013.02.03