Accurate Chemical Reaction Modeling on Noisy Intermediate-Scale Quantum Computers Using a Noise-Resilient Wavefunction Ansatz
Fuente:
arXiv
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| Autores principales: | , , , , , , , , , |
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| Formato: | Preprint |
| Publicado: |
2024
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| Materias: | |
| Acceso en línea: | |
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| _version_ | 1866913324013191168 |
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| author | Zeng, Xiongzhi Zhang, Huili Zhang, Shizheng Liu, Pei Linghu, Kehuan Cui, Jiangyu Cai, Xiaoxia Liu, Jie Li, Zhenyu Yang, Jinlong |
| author_facet | Zeng, Xiongzhi Zhang, Huili Zhang, Shizheng Liu, Pei Linghu, Kehuan Cui, Jiangyu Cai, Xiaoxia Liu, Jie Li, Zhenyu Yang, Jinlong |
| contents | Quantum computing is of great potential for chemical system simulations. In this study, we propose an efficient protocol of quantum computer based simulation of chemical systems which enables accurate chemical reaction modeling on noisy intermediate-scale quantum (NISQ) devices. In this protocol, we combine an correlation energy-based active orbital selection, an effective Hamiltonian from the driven similarity renormalization group (DSRG) method, and a noise-resilient wavefunction ansatz. Such a combination gives a quantum resource-efficient way to accurately simulate chemical systems. The power of this protocol is demonstrated by numerical results for systems with up to tens of atoms. Modeling of a Diels-Alder (DA) reaction is also performed on a cloud-based superconducting quantum computer. These results represent an important step forward in realizing quantum utility in the NISQ era. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2404_14038 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Accurate Chemical Reaction Modeling on Noisy Intermediate-Scale Quantum Computers Using a Noise-Resilient Wavefunction Ansatz Zeng, Xiongzhi Zhang, Huili Zhang, Shizheng Liu, Pei Linghu, Kehuan Cui, Jiangyu Cai, Xiaoxia Liu, Jie Li, Zhenyu Yang, Jinlong Quantum Physics Quantum computing is of great potential for chemical system simulations. In this study, we propose an efficient protocol of quantum computer based simulation of chemical systems which enables accurate chemical reaction modeling on noisy intermediate-scale quantum (NISQ) devices. In this protocol, we combine an correlation energy-based active orbital selection, an effective Hamiltonian from the driven similarity renormalization group (DSRG) method, and a noise-resilient wavefunction ansatz. Such a combination gives a quantum resource-efficient way to accurately simulate chemical systems. The power of this protocol is demonstrated by numerical results for systems with up to tens of atoms. Modeling of a Diels-Alder (DA) reaction is also performed on a cloud-based superconducting quantum computer. These results represent an important step forward in realizing quantum utility in the NISQ era. |
| title | Accurate Chemical Reaction Modeling on Noisy Intermediate-Scale Quantum Computers Using a Noise-Resilient Wavefunction Ansatz |
| topic | Quantum Physics |
| url | https://arxiv.org/abs/2404.14038 |