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Author

Alessandro Serafini

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Open access Oct 2024

A method for the automatic generation of a minimal basis set of structural templates for material phase-space exploration

We present a method for efficiently predicting approximate binary convex hulls through the automatic generation of a minimal basis set of representative structural templates. The approach is based on the assumption that chemical space can be partitioned into a limited number of regions with similar bonding characterist...

Caja Annweiler, Alessandro Serafini, Simone di Cataldo et al. · 0 citations

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