Learning effective Hamiltonians for crystals exposed to nonresonant optical excitation
Phys. Rev. B 114, 165417 – Published 18 September, 2026
DOI: https://doi.org/10.1103/nt1w-dndk
Abstract
We introduce a computational framework for the efficient modeling of nonlinear optical responses in solids under nonresonant excitation. Utilizing the Semiconductor Bloch Equations, our approach captures multiband carrier dynamics across the entire Brillouin zone. A significant simulation speedup is achieved through a learned single-particle Hamiltonian optimized for an extremely coarse numerical grid. Notably, this method maintains the high accuracy in current densities and carrier populations required for coupling with Maxwell's equations, thereby enabling the multiscale simulation of complex light-matter interactions, where macroscopic pulse propagation directly couples to the quantum dynamics of the optically excited material.
