The cost of quantum algorithms for biochemistry: A case study in metaphosphate hydrolysis
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arXiv
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| Autores principales: | , , , , , , , , , , , , |
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| Formato: | Preprint |
| Publicado: |
2026
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| _version_ | 1866912898461204480 |
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| author | LaRose, Ryan Alvertis, Antonios M. Bidart, Alan DalFavero, Ben Economou, Sophia E. Mullinax, J. Wayne Ramôa, Mafalda Rowland, Jeremiah Rubenstein, Brenda Sawaya, Nicolas PD Vaish, Prateek Rotskoff, Grant M. Tubman, Norm M. |
| author_facet | LaRose, Ryan Alvertis, Antonios M. Bidart, Alan DalFavero, Ben Economou, Sophia E. Mullinax, J. Wayne Ramôa, Mafalda Rowland, Jeremiah Rubenstein, Brenda Sawaya, Nicolas PD Vaish, Prateek Rotskoff, Grant M. Tubman, Norm M. |
| contents | We evaluate the quantum resource requirements for ATP/metaphosphate hydrolysis, one of the most important reactions in all of biology with implications for metabolism, cellular signaling, and cancer therapeutics. In particular, we consider three algorithms for solving the ground state energy estimation problem: the variational quantum eigensolver, quantum Krylov, and quantum phase estimation. By utilizing exact classical simulation, numerical estimation, and analytical bounds, we provide a current and future outlook for using quantum computers to solve impactful biochemical and biological problems. Our results show that variational methods, while being the most heuristic, still require substantially fewer overall resources on quantum hardware, and could feasibly address such problems on current or near-future devices. We include our complete dataset of biomolecular Hamiltonians and code as benchmarks to improve upon with future techniques. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2601_19059 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | The cost of quantum algorithms for biochemistry: A case study in metaphosphate hydrolysis LaRose, Ryan Alvertis, Antonios M. Bidart, Alan DalFavero, Ben Economou, Sophia E. Mullinax, J. Wayne Ramôa, Mafalda Rowland, Jeremiah Rubenstein, Brenda Sawaya, Nicolas PD Vaish, Prateek Rotskoff, Grant M. Tubman, Norm M. Quantum Physics Emerging Technologies We evaluate the quantum resource requirements for ATP/metaphosphate hydrolysis, one of the most important reactions in all of biology with implications for metabolism, cellular signaling, and cancer therapeutics. In particular, we consider three algorithms for solving the ground state energy estimation problem: the variational quantum eigensolver, quantum Krylov, and quantum phase estimation. By utilizing exact classical simulation, numerical estimation, and analytical bounds, we provide a current and future outlook for using quantum computers to solve impactful biochemical and biological problems. Our results show that variational methods, while being the most heuristic, still require substantially fewer overall resources on quantum hardware, and could feasibly address such problems on current or near-future devices. We include our complete dataset of biomolecular Hamiltonians and code as benchmarks to improve upon with future techniques. |
| title | The cost of quantum algorithms for biochemistry: A case study in metaphosphate hydrolysis |
| topic | Quantum Physics Emerging Technologies |
| url | https://arxiv.org/abs/2601.19059 |