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// constructs / ml_dft_error_correction

ML DFT Error Correction

id: ml_dft_error_correction

Use of machine learning models to correct systematic errors in DFT-computed enthalpies of formation by learning error patterns from electronic structure features. Can reduce PBE errors from MAE ~195 meV/atom to ~80 meV/atom.

// usage

Used in 1 pax

direction not specified 2 findings