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Model for bulk_modulus_JVASP_350_ZrO2ΒΆ

  • Description: This is a benchmark to evaluate how accurately an ES model can predict the bulk modulus of ZrO2 (JVASP-350), 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_003020406080
ES-SinglePropertyPrediction-bulk_modulus_JVASP_350_ZrO2-dft_3d-test-maeMAE (bulk_modulus_JVASP_350_ZrO2)


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_003dft_3d93.0QMCPACK105-15-2023CSV, JSON, run.sh, Info, JVASP-350