Model for max_piezoelec_JVASP_110_BaTiO3¶
- Description: This is a benchmark to evaluate how accurately an ES model can predict the maxiumum piezoelectric coefficient of BaTiO3 (JVASP-110), 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://www.nature.com/articles/s41524-020-00440-1, https://doi.org/10.48550/arXiv.2305.11842, https://www.nature.com/articles/s41524-020-0337-2
Model benchmarks
| Model name | Dataset | MAE | Team name | Dataset size | Date submitted | Notes |
|---|---|---|---|---|---|---|
| vasp_optb88vdw_dfpt | dft_3d | 5.109 | JARVIS | 1 | 01-14-2023 | CSV, JSON, run.sh, Info, JVASP-110 |