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Model for bulk_modulus_JVASP_963_Pd

  • Description: This is a benchmark to evaluate how accurately an ES model can predict the bulk modulus of Pd (JVASP-963), 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://materialsproject.org/, https://doi.org/10.48550/arXiv.2305.11842, https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.014107, https://www.nature.com/articles/s41524-020-00440-1

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
vasp_optcx13dft_3d5.1JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-963
vasp_optb88vdwdft_3d19.03JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-963
vasp_opt86bdft_3d7.2JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-963
vasp_optpbedft_3d33.5JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-963
vasp_pbe_mpdft_3d35.0MP101-14-2023CSV, JSON, run.sh, Info, JVASP-963