fig13

Figure 13. The general process of training and applying MLPs. Reprinted (adapted) with permission from Zuo et al. Copyright 2020 American Chemical Society. Reprinted with permission^[86]. Copyright 2020, American Chemical Society. MLPs: Machine learning potentials; DFT: density functional theory; GAP: gaussian approximation potential; MTP: moment tensor potential; NNP: neural network potential; SNAP: spectral neighbor analysis potential; qSNAP: quantum-informed spectral neighbor analysis potential.