Fig. 8: ML model prediction of potential HECs.
a Comparison plot of ETR model predictions and DFT calculations for the hydrogen evolution free energy \({\Delta G}_{H}\) of 132 catalysts. Comparison of the DFT-calculated and ML-predicted reaction pathway and \({\Delta G}_{H}\) values for the HER of b ReIr, c Re3W, and d BaNdO₃, respectively.
