Increasing the Computational Efficiency of Combinatoric Searches
A new algorithm for the enumeration of derivative superstructures of a crystal is presented. The algorithm will help increase the efficiency of computational material design methods such as cluster expansion by increasing the size and diversity of the types of systems that can be modeled. Modeling p...
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| Format: | Others |
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BYU ScholarsArchive
2016
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| Online Access: | https://scholarsarchive.byu.edu/etd/6528 https://scholarsarchive.byu.edu/cgi/viewcontent.cgi?article=7528&context=etd |