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Model for bulk_modulus_JVASP_890_Ge

  • Description: This is a benchmark to evaluate how accurately an ES model can predict the bulk modulus of Ge (JVASP-890), 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.readthedocs.io/en/develop/, https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.014107, https://doi.org/10.48550/arXiv.2305.11842, https://www.nature.com/articles/s41524-020-00440-1

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
qmcpack_dmc_pbedft_3d2.1838JARVIS104-05-2023CSV, JSON, run.sh, Info, JVASP-890
vasp_optcx13dft_3d9.4JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-890
qe_pbe_ccECPdft_3d16.7JARVIS104-05-2023CSV, JSON, run.sh, Info, JVASP-890
vasp_optb88vdwdft_3d17.73JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-890
vasp_opt86bdft_3d12.7JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-890
vasp_optpbedft_3d19.4JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-890
vasp_pbe_mpdft_3d16.8MP101-14-2023CSV, JSON, run.sh, Info, JVASP-890