Model for dielectric_function¶
- Description: This is a benchmark to evaluate how accurately an ES model can predict the dielectric function (spectra) of a bulk material, experimental results are used as a ground truth for comparison and the multi-mean absolute error (multi-MAE) with respect to the experimental value is used as an accuracy metric
Reference(s): https://pubs.acs.org/doi/abs/10.1021/acs.chemmater.9b02166, https://www.nature.com/articles/sdata201882, 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 |
|---|---|---|---|---|---|---|
| vasp_optb88vdw_linopt | dft_3d | 4.258155854389801 | JARVIS | 4 | 01-14-2023 | CSV, JSON, run.sh, Info |
| vasp_tbmbj | dft_3d | 2.8799621766740207 | JARVIS | 4 | 01-14-2023 | CSV, JSON, run.sh, Info |