Quantum Hardware-Enabled Molecular Dynamics via Transfer Learning
收藏Zenodo2024-05-14 更新2026-05-26 收录
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https://zenodo.org/doi/10.5281/zenodo.11176824
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资源简介：
This zip file contains datasets for training Behler-Parrinello neural networks using the n2p2 software. Both DFT and VQE training sets are given for both the water monomer and dimer dataset.
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Zenodo创建时间：
2024-05-10
