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Model for bulk_modulus_JVASP_116_MgO

  • Description: This is a benchmark to evaluate how accurately an ES model can predict the bulk modulus of MgO (JVASP-116), 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://doi.org/10.48550/arXiv.2305.11842, https://www.nature.com/articles/s41524-020-00440-1, https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.014107, https://materialsproject.org/

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
vasp_pbe_mpdft_3d14.0MP101-14-2023CSV, JSON, run.sh, Info, JVASP-116
vasp_optcx13dft_3d11.2JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-116
vasp_optpbedft_3d11.8JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-116
vasp_opt86bdft_3d7.0JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-116
vasp_optb88vdwdft_3d4.33JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-116