Dataset

DP-GEN_Cu



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Name DP-GEN_Cu
Extended ID DP-GEN_Cu__Zhang-Wang-Chen-Zeng-Zhang-Wang-E__DS_101uk70asqhq_0
Description Approximately 15,000 configurations of copper used to demonstrate the DP-GEN data generator for PES machine learning models.
Authors Yuzhi Zhang
Haidi Wang
Weijie Chen
Jinzhe Zeng
Linfeng Zhang
Han Wang
Weinan E
DOI 10.60732/2060021e
https://commons.datacite.org/doi.org/10.60732/2060021e
https://doi.datacite.org/dois/10.60732%2F2060021e
https://doi.org/10.60732/2060021e

Cite as: Zhang, Y., Wang, H., Chen, W., Zeng, J., Zhang, L., Wang, H., and E, W. "DP-GEN Cu." ColabFit, 2023. https://doi.org/10.60732/2060021e.
For other citation formats, see the DataCite Fabrica page for this dataset.
Property Types atomic_forces
cauchy_stress
energy
Elements Cu (100.0%)
Number of Property Objects 15,284
Number of Configurations 15,286
Number of Atoms 297,597
Links https://www.aissquare.com/datasets/detail?pageType=datasets&name=Cu-dpgen
https://doi.org/10.1016/j.cpc.2020.107206
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Property Objects Too many to display
ColabFit ID DS_101uk70asqhq_0
Files colabfitspec.json

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