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Model for dielectric_function_JVASP_1174_GaAs

  • Description: This is a benchmark to evaluate how accurately an ES model can predict the dielectric function (spectra) for GaAs (JVASP-1174) 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://www.nature.com/articles/sdata201882, https://doi.org/10.48550/arXiv.2305.11842, https://pubs.acs.org/doi/abs/10.1021/acs.chemmater.9b02166, https://www.nature.com/articles/s41524-020-00440-1

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
vasp_tbmbjdft_3d2.671966303851517JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-1174
vasp_optb88vdw_linoptdft_3d4.54301853745692JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-1174