aiqbench analysis
This study provides a rigorous benchmark of the sorted-list encoding as an efficient alternative to Jordan-Wigner for quantum simulations of chemical systems, specifically optimizing qubit usage in low-electron-filling regimes. By quantifying resource costs across various Hamiltonian simulation techniques and basis sets, it offers critical insights into reducing overhead for fault-tolerant electronic structure calculations. These findings directly advance the practical feasibility of using near-term to mid-term quantum hardware for solving complex chemical problems with high precision.
Benchmarking Quantum Simulation of Chemical Hamiltonians using the Sorted-List Encoding
arXiv:2510.01710v2 Announce Type: replace Abstract: Quantum Phase Estimation (QPE) is a cornerstone algorithm for fault-tolerant quantum computation, especially for electronic structure calculations of chemical systems. Optimal simulation relies on a complex trade-offs across many parameters including Hamiltonian simulation techniques, basis sets, and the fermion-to-qubit encodings. Here, we characterize the trade-offs and quantify the quantum resource costs of the sorted-list encoding as a particle-conserving, low-qubit alternative to the Jordan-Wigner encoding. We identify specific regimes, across different simulation techniques and basis sets, where the sorted-list encoding would be favorable compared to existing methods. Our findings are further supported through numerical benchmarks of real-world chemical systems. We found the sorted-list encoding to be a viable alternative to the Jordan-Wigner encoding for the compact molecular orbital basis when the electron-filling ratio is low, which typically occurs when high-precision results are required. In the plane-wave basis, we found similar asymptotic gate and qubit scaling between the sorted-list and the first-quantized encoding, although the first-quantized encoding still retains lower constant factors.
Abstract:Quantum Phase Estimation (QPE) is a cornerstone algorithm for fault-tolerant quantum computation, especially for electronic structure calculations of chemical systems. Optimal simulation relies on a complex trade-offs across many parameters including Hamiltonian simulation techniques, basis sets, and the fermion-to-qubit encodings. Here, we characterize the trade-offs and quantify the quantum resource costs of the sorted-list encoding as a particle-conserving, low-qubit alternative to the Jordan-Wigner encoding. We identify specific regimes, across different simulation techniques and basis sets, where the sorted-list encoding would be favorable compared to existing methods. Our findings are further supported through numerical benchmarks of real-world chemical systems. We found the sorted-list encoding to be a viable alternative to the Jordan-Wigner encoding for the compact molecular orbital basis when the electron-filling ratio is low, which typically occurs when high-precision results are required. In the plane-wave basis, we found similar asymptotic gate and qubit scaling between the sorted-list and the first-quantized encoding, although the first-quantized encoding still retains lower constant factors.
arXiv:2510.01710 [quant-ph]
(or arXiv:2510.01710v2 [quant-ph] for this version)
https://doi.org/10.48550/arXiv.2510.01710 Focus to learn more arXiv-issued DOI via DataCite
Phys. Rev. Research 8, 033091 (2026)
https://doi.org/10.1103/6q7b-h9db Focus to learn more DOI(s) linking to related resources
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