Hardware-efficient formulation of molecular cavity-QED Hamiltonians
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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_ | 1866909857887551488 |
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| author | Troisi, Francesco Latini, Simone Appel, Heiko Lüders, Martin Rubio, Angel Tavernelli, Ivano |
| author_facet | Troisi, Francesco Latini, Simone Appel, Heiko Lüders, Martin Rubio, Angel Tavernelli, Ivano |
| contents | Light-matter coupled Hamiltonians are central to cavity materials engineering and polaritonic chemistry, but are challenging to simulate with classical hardware due to the scaling of the Hilbert space with the number of quantum photon modes and matter complexity. Leveraging the fact that quantum computers naturally represent photonic modes efficiently, we present a novel approach to simulate quantum-electrodynamical (QED) systems on near-term quantum hardware. After developing the bosonic and mixed operators in the Qiskit Nature framework, we employ them to simulate a first-order Trotterized Hamiltonian for a spontaneous-emission problem of a two-level system in an optical cavity. We find that using a standing-waves photonic basis approach leads to fidelity issues due to hardware connectivity constraints and two-qubits gates errors. Hence, we propose using a localized photonic basis approach that enforces nearest-neighbor couplings, thanks to which we can map the Hamiltonian as a 1D qubit chain. We significantly reduce the noise and, by applying the zero-noise extrapolation error mitigation technique, we recover the accurate quantum dynamics. Finally, we also show that this approach is resilient when relaxing the 1D qubit chain approximation. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2510_17461 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Hardware-efficient formulation of molecular cavity-QED Hamiltonians Troisi, Francesco Latini, Simone Appel, Heiko Lüders, Martin Rubio, Angel Tavernelli, Ivano Quantum Physics Atomic Physics Light-matter coupled Hamiltonians are central to cavity materials engineering and polaritonic chemistry, but are challenging to simulate with classical hardware due to the scaling of the Hilbert space with the number of quantum photon modes and matter complexity. Leveraging the fact that quantum computers naturally represent photonic modes efficiently, we present a novel approach to simulate quantum-electrodynamical (QED) systems on near-term quantum hardware. After developing the bosonic and mixed operators in the Qiskit Nature framework, we employ them to simulate a first-order Trotterized Hamiltonian for a spontaneous-emission problem of a two-level system in an optical cavity. We find that using a standing-waves photonic basis approach leads to fidelity issues due to hardware connectivity constraints and two-qubits gates errors. Hence, we propose using a localized photonic basis approach that enforces nearest-neighbor couplings, thanks to which we can map the Hamiltonian as a 1D qubit chain. We significantly reduce the noise and, by applying the zero-noise extrapolation error mitigation technique, we recover the accurate quantum dynamics. Finally, we also show that this approach is resilient when relaxing the 1D qubit chain approximation. |
| title | Hardware-efficient formulation of molecular cavity-QED Hamiltonians |
| topic | Quantum Physics Atomic Physics |
| url | https://arxiv.org/abs/2510.17461 |