Model for Tc_supercon_JVASP_1151_MgB2¶
- Description: This is a benchmark to evaluate how accurately an ES model can predict the superconducting transition temperature (Tc) of MgB2 (JVASP-1151), 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://doi.org/10.48550/arXiv.2305.11842, https://www.nature.com/articles/s41524-022-00933-1#Sec9, www.abinit.org, https://www.nature.com/articles/s41524-020-00440-1, https://www.nature.com/articles/s41524-022-00933-1
Model benchmarks
| Model name | Dataset | MAE | Team name | Dataset size | Date submitted | Notes |
|---|---|---|---|---|---|---|
| qe_pbesol_gbrv | dft_3d | 6.3148 | JARVIS | 1 | 01-14-2023 | CSV, JSON, run.sh, Info, JVASP-1151 |
| qe_pbesol_gbrv_tetrahedron | dft_3d | 23.5 | JARVIS | 1 | 5-10-2023 | CSV, JSON, run.sh, Info, JVASP-1151 |
| abinit_normconserving | dft_3d | 6.695 | ABINIT | 1 | 05-15-2023 | CSV, JSON, run.sh, Info, JVASP-1151 |