Machine Learning Accelerated Global Search for Adsorption Geometries of Merocyanine Molecule on Hexagonal Boron Nitride.

J Comput Chem · 2026 · PMC12911474 · PMID 41700881

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a clear trendno p-value reported

MACE Fine‐Tuning The fine‐tuning performance of the three MACE potentials shown in Figure 2 shows a clear trend of rapid convergence.

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