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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://www.nature.com/articles/s41524-022-00933-1#Sec9, https://www.nature.com/articles/s41524-022-00933-1, www.abinit.org, https://doi.org/10.48550/arXiv.2305.11842, https://www.nature.com/articles/s41524-020-00440-1

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
qe_pbesol_gbrv_tetrahedrondft_3d23.5JARVIS15-10-2023CSV, JSON, run.sh, Info, JVASP-1151
abinit_normconservingdft_3d6.695ABINIT105-15-2023CSV, JSON, run.sh, Info, JVASP-1151
qe_pbesol_gbrvdft_3d6.3148JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-1151