Quantum Information Harvesting with the Parallel Quantum Flow Algorithm

Abstract

The Quantum Flow (QFlow) algorithm provides a resource-efficient framework for describing correlated many-body systems on hybrid quantum-classical architectures. By enabling parallel utilization of quantum and classical resources, QFlow offers a scalable pathway toward simulations of realistic systems. In this Letter, we report a high-performance computing (HPC) implementation of the QFlow formalism based on a singles-and-doubles model. We demonstrate its performance for target spaces comprising 82 and 114 orbitals, where the flow includes all 6 active electrons in 6 active orbitals type active spaces. In the largest QFlow simulations, we optimize 1.17 million wave function parameters using the equivalent of 12 qubits. Despite the modest qubit requirements of the underlying active-space problems, the method recovers over $95\%$ of the total correlation energy obtained with the coupled cluster singles and doubles (CCSD) approach for systems dominated by dynamical correlation effects, which remain challenging for existing quantum algorithms. We further show that the QFlow formalism retains high accuracy in extended basis sets with diffuse functions, highlighting its potential for realistic large-scale quantum chemistry simulations.