Dataset
DP-GEN_Cu
Download Dataset XYZ file
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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