Computation of Molecular Spectra on a Quantum Processor with an Error-Resilient Algorithm
Open accessAbstract
Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite coherent lifetimes.Hybrid algorithms, such as the variational quantum eigensolver (VQE), leverage classical resources to reduce the required number of quantum gates.Experimental demonstrations of VQE have resulted in calculation of Hamiltonian ground states, and a new theoretical approach based on a quantum subspace expansion (QSE) has outlined a procedure for determining excited states that are central to dynamical processes.We use a superconducting-qubit-based processor to apply the QSE approach to the H 2 molecule, extracting both ground and excited states without the need for auxiliary qubits or additional minimization.Further, we show that this extended protocol can mitigate the effects of incoherent errors, potentially enabling larger-scale quantum simulations without the need for complex error-correction techniques.
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The subspace expansion method is designed to mitigate errors in the variational quantum eigensolver routine.
“Subspace expansion method (Barron et al. , 2020; Colless et al. , 2018; McArdle et al. , 2019c; McClean et al. , 2020b, 2017; Sagastizabal et al. , 2019a) are designed to mitigate errors in the VQE routine”
From Noisy intermediate-scale quantum algorithms (2022) · cites this paper as Colless et al., 2018
The subspace expansion method can be used to find excited states and was demonstrated for a small molecule.
“This method can be also used to find excited states (McClean et al. , 2017) and it was demonstrated for a small molecule in (Colless et al. , 2018).”
From Noisy intermediate-scale quantum algorithms (2022) · cites this paper as Colless et al. , 2018
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- Authors
- Colless, J. I., Ramasesh, V. V., Dahlen, D., Blok, M. S., Kimchi-Schwartz, M. E., McClean, J. R., Carter, J., de Jong, W. A., & Siddiqi, I.
- Affiliations
- University of California, Berkeley (US)
- Venue
- Physical Review X
- Publisher
- American Physical Society (APS)
- Published
- 2018-02-12
- Volume
- 8
- Issue
- 1
- ISSN
- 2160-3308 (ISSN-L)
- OpenAlex
- W3105532889
- Cited by
- 460
- References
- 9
- Citations by year
- 2026: 18 · 2025: 43 · 2024: 52 · 2023: 57 · 2022: 70 · 2021: 93 · 2020: 67 · 2019: 38 · 2018: 22
- FWCI
- 30.96
- Type
- journal article
- Language
- en
- Open access
- gold
- doi.org
- Licence
- Locations
- Physical Review X (publishedVersion, cc-by)
- arXiv (Cornell University) (submittedVersion)
- eScholarship (California Digital Library) (submittedVersion)
- DOAJ (DOAJ: Directory of Open Access Journals) (submittedVersion, cc-by-sa)
- OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (submittedVersion, cc-by)
- arXiv (Cornell University)
- Funders
- Army Research Office (W911NF-15-1-0496)
- Office of Science
- Advanced Scientific Computing Research
- U.S. Department of Energy (DE-AC02-05CH11231)
- Topics
- Physical Sciences › Computer Science › Artificial Intelligence › Quantum Computing Algorithms and Architecture
- Physical Sciences › Computer Science › Artificial Intelligence › Quantum Information and Cryptography
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Quantum many-body systems
- Keywords
- variational quantum eigensolver, excited states, H2 molecule, superconducting qubits, quantum chemistry simulation, hybrid quantum-classical algorithms, molecular spectra
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