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Model for max_piezoelec_JVASP_110_BaTiO3ΒΆ

  • 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
vasp_optb88vdw_dfpt012345
ES-SinglePropertyPrediction-max_piezoelec_JVASP_110_BaTiO3-dft_3d-test-maeMAE (max_piezoelec_JVASP_110_BaTiO3)


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_dfptdft_3d5.109JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-110