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Model for bulk_modulus_JVASP_23864_LiCl

  • Description: This is a benchmark to evaluate how accurately an ES model can predict the bulk modulus of LiCl (JVASP-23864), 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://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.014107, https://www.nature.com/articles/s41524-020-00440-1, https://qmcpack.org

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
vasp_optcx13dft_3d0.5JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-23864
vasp_optb88vdwdft_3d0.13JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-23864
vasp_opt86bdft_3d0.6JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-23864
vasp_optpbedft_3d2.0JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-23864
qmcpack_team__dmc_001dft_3d0.13QMCPACK105-15-2023CSV, JSON, run.sh, Info, JVASP-23864