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Model for bulk_modulus_JVASP_25065_Li

  • Description: This is a benchmark to evaluate how accurately an ES model can predict the bulk modulus of Li (JVASP-25065), 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://qmcpack.org, https://www.nature.com/articles/s41524-020-00440-1, https://doi.org/10.48550/arXiv.2305.11842, https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.014107

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
qmcpack_team__dmc_001dft_3d0.66QMCPACK105-15-2023CSV, JSON, run.sh, Info, JVASP-25065
vasp_pbe_mpdft_3d0.7MP101-14-2023CSV, JSON, run.sh, Info, JVASP-25065
vasp_optcx13dft_3d0.0JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-25065
vasp_optpbedft_3d1.1JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-25065
vasp_opt86bdft_3d0.3JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-25065
vasp_optb88vdwdft_3d0.52JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-25065