Cu Nanocluster MLIP Benchmark Dataset
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资源简介：
364 GPAW PBE-D3(BJ) ΔG_H reference calculations for hydrogen adsorption on Cu₁₀–Cu₅₀ nanoclusters (3 geometries × 5 sizes), with zero-shot MACE-MP-0, CHGNet, and TensorNet predictions and fine-tuning learning curve data. Accompanies: Tavana, J. Benchmarking Foundation ML Interatomic Potentials for HER Activity Screening of Copper Nanoclusters. ACS Catalysis (2026).
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Zenodo创建时间：
2026-05-16
