SRSS is an unbiased random-search framework that recovers known crystal ground states and identifies new dynamically stable polymorphs in SiC, BaPtAs, NbSe2, and GaN systems using CPU-only computation.
Figure 1 illustrates the Uniform Manifold Approximation and Projection (UMAP) dimensionality reduction plots of structures selected from initial pool based on various combinations
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Selective Random Structure Search (SRSS): Unbiased Exploration of Polymorphs in Crystals
SRSS is an unbiased random-search framework that recovers known crystal ground states and identifies new dynamically stable polymorphs in SiC, BaPtAs, NbSe2, and GaN systems using CPU-only computation.