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Official public repository for the XtalOpt crystallographic multi-objective variable-composition evolutionary algorithm

xtalopt.github.io

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Official public repository for the XtalOpt crystallographic multi-objective variable-composition evolutionary algorithm

xtalopt.github.io

Topics

crystal-structure multi-objective-optimization evolutionary-algorithm prediction-algorithm crystal-structure-prediction variable-composition

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XtalOpt v14.1.0 Latest
Jul 12, 2025
+ 34 releases

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