fig4
Figure 4. (A) Summary of ML-Ham architectures, models, and physical properties; (B) Examples of ML-Ham applications, including band gaps, charge densities[61], noncolinear magnetism, excited-state dynamics[62], EPC[63], quantum transport[64], spin-orbit coupling[65] and amorphous materials[66]. ML-Ham: Machine learning Hamiltonian; EPC: electron-phonon coupling.