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| Main Authors: | , , |
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| Format: | Preprint |
| Published: |
2026
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2605.12614 |
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| _version_ | 1866918498308980736 |
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| author | Bazayeva, Milana Gomez, Abigail McClain Merz Jr, Kenneth M. |
| author_facet | Bazayeva, Milana Gomez, Abigail McClain Merz Jr, Kenneth M. |
| contents | In the context of quantum computing, efficient resource management is crucial for optimizing throughput on cloud-based platforms and maximizing hardware utilization. In the present work, we propose an approach to tackle quantum chemistry problems via quantum multi-programming of the Local Unitary Cluster Jastrow (LUCJ) ansätze. The ground-state energy of the molecular system is obtained via Sample-based quantum diagonalization (SQD), further refined by its extended version (ext-SQD). Building upon the Qiskit Experiments package, which already supports parallel execution functionality for general tasks, we developed a novel parallel experiment class tailored for quantum chemistry problems. Cross-talk is a known issue in the multi-programming frameworks and can corrupt the ground-energy estimation of the simulated systems. To assess its impact within our approach, we simulated two conformations of the ethanol molecule: one at the equilibrium state (EtOH$_{Eq}$), and one with the O-H bond stretched to 1.2 ${Å}$ (EtOH$_{1.2}$). We defined three different layouts that we executed in a randomized fashion, alternating serial and parallel execution within 10 independent replicates. The single modality of each circuit was kept as a baseline to evaluate the effect of cross-talk induced by quantum multi-programming. The energies obtained at the first-, last- and ext-SQD iteration were compared to the classical Heat-bath Configuration Interaction (HCI) reference. Our findings highlight the viability of a quantum multi-programming workflow for quantum chemistry as the robust post-processing protocol effectively mitigates possible cross-talk induced noise. At the final step of the configuration recovery process, the energy difference relative to the HCI reference is negligible, within 0.001 kcal/mol. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2605_12614 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | A Quantum Multi-Programming Framework to Maximize Quantum Resources for the LUCJ Ansatz Bazayeva, Milana Gomez, Abigail McClain Merz Jr, Kenneth M. Quantum Physics In the context of quantum computing, efficient resource management is crucial for optimizing throughput on cloud-based platforms and maximizing hardware utilization. In the present work, we propose an approach to tackle quantum chemistry problems via quantum multi-programming of the Local Unitary Cluster Jastrow (LUCJ) ansätze. The ground-state energy of the molecular system is obtained via Sample-based quantum diagonalization (SQD), further refined by its extended version (ext-SQD). Building upon the Qiskit Experiments package, which already supports parallel execution functionality for general tasks, we developed a novel parallel experiment class tailored for quantum chemistry problems. Cross-talk is a known issue in the multi-programming frameworks and can corrupt the ground-energy estimation of the simulated systems. To assess its impact within our approach, we simulated two conformations of the ethanol molecule: one at the equilibrium state (EtOH$_{Eq}$), and one with the O-H bond stretched to 1.2 ${Å}$ (EtOH$_{1.2}$). We defined three different layouts that we executed in a randomized fashion, alternating serial and parallel execution within 10 independent replicates. The single modality of each circuit was kept as a baseline to evaluate the effect of cross-talk induced by quantum multi-programming. The energies obtained at the first-, last- and ext-SQD iteration were compared to the classical Heat-bath Configuration Interaction (HCI) reference. Our findings highlight the viability of a quantum multi-programming workflow for quantum chemistry as the robust post-processing protocol effectively mitigates possible cross-talk induced noise. At the final step of the configuration recovery process, the energy difference relative to the HCI reference is negligible, within 0.001 kcal/mol. |
| title | A Quantum Multi-Programming Framework to Maximize Quantum Resources for the LUCJ Ansatz |
| topic | Quantum Physics |
| url | https://arxiv.org/abs/2605.12614 |