Qumode-Based Variational Quantum Eigensolver for Molecular Excited States
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arXiv
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| Main Authors: | , , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866911338198990848 |
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| author | Dutta, Rishab Cianci, Cameron Soudackov, Alexander V. Wang, Yuchen Xu, Chuzhi Mazziotti, David A. Santos, Lea F. Batista, Victor S. |
| author_facet | Dutta, Rishab Cianci, Cameron Soudackov, Alexander V. Wang, Yuchen Xu, Chuzhi Mazziotti, David A. Santos, Lea F. Batista, Victor S. |
| contents | We introduce the Qumode Subspace Variational Quantum Eigensolver (QSS-VQE), a hybrid quantum-classical algorithm for computing molecular excited states using the Fock basis of bosonic qumodes in circuit quantum electrodynamics (cQED) devices. This approach harnesses the native universal gate sets of qubit-qumode architectures to construct highly expressive variational ansatze, offering potential advantages over conventional qubit-based methods. In QSS-VQE, the electronic structure Hamiltonian is first mapped to a qubit representation and subsequently embedded into the Fock space of bosonic qumodes, enabling efficient state preparation and reduced quantum resource requirements. We demonstrate the performance of QSS-VQE through simulations of molecular excited states, including dihydrogen and a conical intersection in cytosine. Additionally, we explore a bosonic model Hamiltonian to assess the expressivity of qumode gates, identifying regimes where qumode-based implementations outperform purely qubit-based approaches. These results highlight the promise of leveraging bosonic degrees of freedom for enhanced quantum simulation of complex molecular systems. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2509_04727 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Qumode-Based Variational Quantum Eigensolver for Molecular Excited States Dutta, Rishab Cianci, Cameron Soudackov, Alexander V. Wang, Yuchen Xu, Chuzhi Mazziotti, David A. Santos, Lea F. Batista, Victor S. Quantum Physics Chemical Physics We introduce the Qumode Subspace Variational Quantum Eigensolver (QSS-VQE), a hybrid quantum-classical algorithm for computing molecular excited states using the Fock basis of bosonic qumodes in circuit quantum electrodynamics (cQED) devices. This approach harnesses the native universal gate sets of qubit-qumode architectures to construct highly expressive variational ansatze, offering potential advantages over conventional qubit-based methods. In QSS-VQE, the electronic structure Hamiltonian is first mapped to a qubit representation and subsequently embedded into the Fock space of bosonic qumodes, enabling efficient state preparation and reduced quantum resource requirements. We demonstrate the performance of QSS-VQE through simulations of molecular excited states, including dihydrogen and a conical intersection in cytosine. Additionally, we explore a bosonic model Hamiltonian to assess the expressivity of qumode gates, identifying regimes where qumode-based implementations outperform purely qubit-based approaches. These results highlight the promise of leveraging bosonic degrees of freedom for enhanced quantum simulation of complex molecular systems. |
| title | Qumode-Based Variational Quantum Eigensolver for Molecular Excited States |
| topic | Quantum Physics Chemical Physics |
| url | https://arxiv.org/abs/2509.04727 |