Model for bulk_modulus_JVASP_113_ZrO2¶
- Description: This is a benchmark to evaluate how accurately an ES model can predict the bulk modulus of ZrO2 (JVASP-113), experimental results are used as a ground truth for comparison and the mean absolute error (MAE) with respect to the experimental value is used as an accuracy metric
Reference(s): https://qmcpack.org, https://www.nature.com/articles/s41524-020-00440-1, https://doi.org/10.48550/arXiv.2305.11842
Model benchmarks
| Model name | Dataset | MAE | Team name | Dataset size | Date submitted | Notes |
|---|---|---|---|---|---|---|
| qmcpack_team__dmc_003 | dft_3d | 42.0 | QMCPACK | 1 | 05-15-2023 | CSV, JSON, run.sh, Info, JVASP-113 |