Gutzwiller hybrid quantum-classical computing approach for correlated materials

Rapid progress in noisy intermediate-scale quantum (NISQ) computing technology has led to the development of novel resource-efficient hybrid quantum-classical algorithms, such as the variational quantum eigensolver (VQE), that can address open challenges in quantum chemistry, physics, and material science. Proof-of-principle quantum chemistry simulations for small molecules have been demonstrated on NISQ devices. While several approaches have been theoretically proposed for correlated materials, NISQ simulations of interacting periodic models on current quantum devices have not yet been demonstrated. Here, we develop a hybrid quantum-classical simulation framework for correlated electron systems based on the Gutzwiller variational embedding approach. We implement this framework on Rigetti quantum processing units (QPUs) and apply it to the periodic Anderson model, which describes a correlated heavy electron band hybridizing with noninteracting conduction electrons. Our simulation results quantitatively reproduce the known ground state quantum phase diagram including metallic, Kondo and Mott insulating phases. This is the first fully self-consistent hybrid quantum-classical simulation of an infinite correlated lattice model executed on QPUs, demonstrating that the Gutzwiller hybrid quantum-classical embedding framework is a powerful approach to simulate correlated materials on NISQ hardware. This benchmark study also puts forth a concrete pathway towards practical quantum advantage on NISQ devices.

Automated summary

Rapid advancements in noisy intermediate-scale quantum (NISQ) computing have enabled the development of hybrid quantum-classical algorithms like VQE, which can tackle challenges in quantum chemistry, physics, and material science. While proof-of-principle quantum chemistry simulations for small molecules have been demonstrated on NISQ devices, NISQ simulations of interacting periodic models have not been shown. The study presents a hybrid quantum-classical simulation framework for correlated electron systems using the Gutzwiller variational embedding approach, successfully applied to the periodic Anderson model, reproducing the known ground state quantum phase diagram. This marks the first self-consistent hybrid quantum-classical simulation of an infinite correlated lattice model executed on QPUs, demonstrating the power of the Gutzwiller hybrid quantum-classical embedding framework for simulating correlated materials on NISQ hardware and paving the way for practical quantum advantage on NISQ devices.