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Model for bulk_modulus_JVASP_20290_Sc2O3ΒΆ

  • Description: This is a benchmark to evaluate how accurately an ES model can predict the bulk modulus of Sc2O3 (JVASP-20290), 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
qmcpack_team__dmc_002051015202530
ES-SinglePropertyPrediction-bulk_modulus_JVASP_20290_Sc2O3-dft_3d-test-maeMAE (bulk_modulus_JVASP_20290_Sc2O3)


Reference(s): https://www.nature.com/articles/s41524-020-00440-1, https://qmcpack.org, https://doi.org/10.48550/arXiv.2305.11842

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
qmcpack_team__dmc_002dft_3d29.65QMCPACK105-15-2023CSV, JSON, run.sh, Info, JVASP-20290