Dataset
DP-GEN_Cu
Download Dataset XYZ files Download Dataset Parquet files
| 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. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Cu (100.0%) |
| 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) |
| Calculated Properties | |
| ColabFit ID | DS_101uk70asqhq_0 |
| Files | colabfitspec.json |
No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.