• Accepted Paper

Pauli propagation enables fast classical simulation of strongly correlated quantum systems

Chinmay Shrikhande, Arnab Bachhar, José Aarón Rodríguez-Jiménez, Edward F. Valeev, and Nicholas J. Mayhall

PRX Quantum - Accepted 30 September, 2026

DOI: https://doi.org/10.1103/kq3v-whcq

Abstract

Ground state energy estimation for strongly correlated quantum systems remains a central challenge in computational physics and chemistry. While tensor network methods like DMRG provide efficient solutions for one-dimensional systems, higher-dimensional problems remain difficult. Here we present a variational double bracket flow (vDBF) algorithm that leverages Pauli Propagation, a technique originally developed for classical simulation of quantum circuits, to efficiently approximate ground state energies. By combining greedy operator selection with coefficient-based fluctuation truncation and energy-variance extrapolation, we obtain sub-1% relative errors for Heisenberg and Hubbard lattices of up to 128 qubits. For a 10$$10 Heisenberg lattice (100 qubits), vDBF obtains accurate results in approximately 2 minutes on a single CPU thread, compared to over 50 hours on 64 threads for DMRG. Accurate results are also obtained for systems that are difficult for quantum Monte Carlo: on the maximally frustrated 8×8 J1-J2 lattice and the hole-doped 8×8 Hubbard model, the tightest thresholds extrapolate to within a few tenths of a percent of the best published variational estimates. We further test vDBF on the 84-qubit π-valence active space of hexabenzocoronene, where the most reliable extrapolated correlation energies agree with DMRG to within 1%. These results demonstrate that classical simulation techniques developed in the context of quantum advantage benchmarking can provide practical tools for many-body physics.

Export citation

Export citation

Choose format for download:

Download Citation

If the author has provided any supplemental materials with this article they will be available upon publication of the version of record.

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation