Variational quantum eigensolver for chemical molecules
Fuente:
arXiv
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| Autori principali: | , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| _version_ | 1866917187608903680 |
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| author | Ion, Luca Smith, Adam |
| author_facet | Ion, Luca Smith, Adam |
| contents | Solving interacting multi-particle systems is a central challenge in quantum chemistry and condensed matter physics. In this work, we investigate the computation of ground states and ground-state energies for the He-H+ and H2O molecules using quantum computing techniques. We employ the variational quantum eigensolver (VQE), implemented both on a quantum computer simulator and on an IBM quantum device. The resulting energies are benchmarked against exact ground-state energies obtained via classical methods. Simulations of the H2O molecule were performed on Nottingham's High Performance Computing (HPC) facilities. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2512_22572 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Variational quantum eigensolver for chemical molecules Ion, Luca Smith, Adam Quantum Physics Computational Physics Solving interacting multi-particle systems is a central challenge in quantum chemistry and condensed matter physics. In this work, we investigate the computation of ground states and ground-state energies for the He-H+ and H2O molecules using quantum computing techniques. We employ the variational quantum eigensolver (VQE), implemented both on a quantum computer simulator and on an IBM quantum device. The resulting energies are benchmarked against exact ground-state energies obtained via classical methods. Simulations of the H2O molecule were performed on Nottingham's High Performance Computing (HPC) facilities. |
| title | Variational quantum eigensolver for chemical molecules |
| topic | Quantum Physics Computational Physics |
| url | https://arxiv.org/abs/2512.22572 |