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ENTITY Smooth Overlap of Atomic Positions

Smooth Overlap of Atomic Positions

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  1. TOOL · CL_301223 ·

    New Conformal Risk Control method optimizes DFT selection for MLIPs

    Researchers have developed a novel approach using Conformal Risk Control (CRC) to optimize the selection of configurations for density functional theory (DFT) calculations in materials discovery. This method aims to red…