Pauli propagation enables fast classical simulation of strongly correlated quantum systems
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866910274568585216 |
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| author | Shrikhande, Chinmay Bachhar, Arnab Jimenez, Aaron Rodriguez Valeev, Edward F. Mayhall, Nicholas J. |
| author_facet | Shrikhande, Chinmay Bachhar, Arnab Jimenez, Aaron Rodriguez Valeev, Edward F. Mayhall, Nicholas J. |
| contents | 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 results with sub-1% relative accuracy compared to DMRG benchmarks for the Heisenberg and Hubbard models in one and two dimensions. For a 10x10 Heisenberg lattice (100 qubits), vDBF obtains accurate results in approximately 1 minute on a single CPU thread, compared to over 50 hours on 64 threads for DMRG. For the 8x8 half-filled Hubbard model, corresponding to 128 qubits, vDBF reaches the 1% error regime in less than one hour, while our DMRG calculations required more than 10 hours on 64 threads. We further test vDBF on the 84-qubit π-valence active space of hexabenzocoronene, where the tighter-threshold calculations achieve sub-1% agreement with DMRG. These results demonstrate that classical simulation techniques developed in the context of quantum advantage benchmarking can provide practical tools for many-body physics. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2511_21651 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Pauli propagation enables fast classical simulation of strongly correlated quantum systems Shrikhande, Chinmay Bachhar, Arnab Jimenez, Aaron Rodriguez Valeev, Edward F. Mayhall, Nicholas J. Quantum Physics Chemical Physics Computational Physics 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 results with sub-1% relative accuracy compared to DMRG benchmarks for the Heisenberg and Hubbard models in one and two dimensions. For a 10x10 Heisenberg lattice (100 qubits), vDBF obtains accurate results in approximately 1 minute on a single CPU thread, compared to over 50 hours on 64 threads for DMRG. For the 8x8 half-filled Hubbard model, corresponding to 128 qubits, vDBF reaches the 1% error regime in less than one hour, while our DMRG calculations required more than 10 hours on 64 threads. We further test vDBF on the 84-qubit π-valence active space of hexabenzocoronene, where the tighter-threshold calculations achieve sub-1% agreement with DMRG. These results demonstrate that classical simulation techniques developed in the context of quantum advantage benchmarking can provide practical tools for many-body physics. |
| title | Pauli propagation enables fast classical simulation of strongly correlated quantum systems |
| topic | Quantum Physics Chemical Physics Computational Physics |
| url | https://arxiv.org/abs/2511.21651 |