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polynomial machine learning potential

technology1 mentionslast seen Oct 23, 2026

A method based on polynomial rotational invariants for predicting crystal structures and phase stability.

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polynomial machine learning potentialapplies tocrystal structure prediction under extreme conditions90% confidence1 source
global structure searchdepends onpolynomial machine learning potential85% confidence1 source

polynomial machine learning potential

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polynomial machine learning potentialapplies tocrystal structure prediction under extreme conditions

90% confidence1 supporting mentions

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preprintarXivMar 17, 2026Global structure searches under varying temperatures and pressures using polynomial machine learning potentials: A case study on silicon
polynomial MLPs to comprehensively enumerate crystal structures under high-pressure conditions and to evaluate their phase stability at finite temperatures