Fig. 2. Rotational and field intensity dependence of the FIREANN model.

Comparison of energy curves of a water molecule lying on the yz plane rotating about the a x axis and b y axis calculated by density functional theory (DFT) and field-induced recursively embedded atom neural network (FIREANN), where an electric field ($\overrightarrow{\mathit{\epsilon }}$) with the intensity of 0.1 V Å⁻¹ is applied along the x axis; c DFT and FIREANN energy curves varying with the electric field intensity (ε_x), compared with FieldSchNet⁶². Source data are provided as a Source Data file.