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// constructs / dft_prediction_accuracy

DFT Prediction Accuracy for Solid Stability

id: dft_prediction_accuracy

The accuracy with which density functional theory approximations (PBE, SCAN, r2SCAN) predict the thermodynamic stability of inorganic solids, measured as mean absolute error relative to experimental formation enthalpies.

// usage

Used in 1 pax

↑ positive relationship 6 findings