Foundation Neural Effective Hamiltonian for Strongly Correlated Quantum Materials
TL;DR
The Foundation Neural Effective Hamiltonian (FNEH) is demonstrated in strongly correlated moir\'e materials, where it accurately resolves competing phases, enables high-resolution multidimensional phase scans, and substantially reduces the computational cost of exploring many target Hamiltonians.
Abstract
Simulating strongly correlated quantum materials often involves not a single Hamiltonian, but a family of Hamiltonians whose ground states evolve across experimentally tunable couplings. Foundation neural quantum states (FNQS) offer a promising route to amortizing many-body calculations across such families, but can lose accuracy near phase transitions and still incur non-negligible sampling costs that grow with the number of target couplings. We introduce the Foundation Neural Effective Hamiltonian (FNEH), which projects a Hamiltonian family onto a compact subspace spanned by FNQS sampled at selected couplings. By variationally combining FNQS across parameter space, FNEH systematically improves their ground-state approximation and can recover phase boundaries that the foundation model misidentifies. Once the required operator matrix elements are sampled, FNEH enables sweeps over couplings, observables, and phase boundaries at a cost governed by the small effective-Hamiltonian dimension, without repeated neural-network sampling at every target coupling. We demonstrate FNEH in strongly correlated moir\'e materials, where it accurately resolves competing phases, enables high-resolution multidimensional phase scans, and substantially reduces the computational cost of exploring many target Hamiltonians. The results open a new avenue for studying strongly correlated quantum materials with foundation models.