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The problem of crystal structure prediction is very old and does, in fact, constitute the central problem of theoretical crystal chemistry. In this paper, we discuss the popular USPEX evolutionary… Click to show full abstract
The problem of crystal structure prediction is very old and does, in fact, constitute the central problem of theoretical crystal chemistry. In this paper, we discuss the popular USPEX evolutionary algorithm for crystal structure prediction. Here we present the distributed computing implementation of USPEX based on a popular BOINC volunteer computing platform, and discuss experimental results and project performance.
Keywords:
materials design;
computing computational;
chemistry;
volunteer computing;
crystal;
computational materials
Journal Title: Lobachevskii Journal of Mathematics
Year Published: 2017
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Journal Title: Lobachevskii Journal of Mathematics
Year Published: 2017
Link to full text (if available)
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recommendations!