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Model for bulk modulus

  • Description: This is a benchmark to evaluate how accurately an ES model can predict the bulk modulus for a bulk material, 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/s41524-020-00440-1, https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.014107, https://doi.org/10.48550/arXiv.2305.11842, https://materialsproject.org/

Model benchmarks

Model nameDataset MAE Team name Dataset size Date submitted Notes
vasp_opt86bdft_3d4.6619JARVIS2101-14-2023CSV, JSON, run.sh, Info
vasp_optcx13dft_3d5.8524JARVIS2101-14-2023CSV, JSON, run.sh, Info
vasp_optpbedft_3d9.1762JARVIS2101-14-2023CSV, JSON, run.sh, Info
vasp_pbe_mpdft_3d8.2381MP2101-14-2023CSV, JSON, run.sh, Info
vasp_optb88vdwdft_3d5.7319JARVIS2101-14-2023CSV, JSON, run.sh, Info