Resource-optimized fault-tolerant simulation of the Fermi-Hubbard model and high-temperature superconductor models

Abstract: Exploring low-cost applications is paramount to creating value in early fault-tolerant quantum computers. Here we optimize both gate and qubit counts of recent algorithms for simulating the Fermi-Hubbard model. We further devise and compile algorithms to simulate established models of cuprate and pnictide high-temperature superconductors, which include beyond-nearest-neighbor hopping terms and multi-orbital interactions that are absent in the Fermi-Hubbard model. We find plenty classically difficult instances with Toffoli counts much lower than commonly considered molecular simulations in quantum chemistry. We believe our results pave the way towards studying high-temperature superconductors on early fault-tolerant quantum computers.