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| Formato: | Preprint |
| Publicado: |
2025
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| Materias: | |
| Acceso en línea: | https://arxiv.org/abs/2506.19337 |
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| author | Alexeev, Yuri Batista, Victor S. Bauman, Nicholas Bertels, Luke Claudino, Daniel Dutta, Rishab Gagliardi, Laura Godwin, Scott Govind, Niranjan Head-Gordon, Martin Hermes, Matthew Kowalski, Karol Li, Ang Liu, Chenxu Liu, Junyu Liu, Ping Garcia-Lustra, Juan M. Mejia-Rodriguez, Daniel Mueller, Karl Otten, Matthew Peng, Bo Raugus, Mark Reiher, Markus Rigor, Paul Shaw, Wendy van Schilfgaarde, Mark Vegge, Tejs Zhang, Yu Zheng, Muqing Zhu, Linghua |
| author_facet | Alexeev, Yuri Batista, Victor S. Bauman, Nicholas Bertels, Luke Claudino, Daniel Dutta, Rishab Gagliardi, Laura Godwin, Scott Govind, Niranjan Head-Gordon, Martin Hermes, Matthew Kowalski, Karol Li, Ang Liu, Chenxu Liu, Junyu Liu, Ping Garcia-Lustra, Juan M. Mejia-Rodriguez, Daniel Mueller, Karl Otten, Matthew Peng, Bo Raugus, Mark Reiher, Markus Rigor, Paul Shaw, Wendy van Schilfgaarde, Mark Vegge, Tejs Zhang, Yu Zheng, Muqing Zhu, Linghua |
| contents | The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource requirements for simulating quantum systems, quantum chemistry has long been recognized as a natural candidate for quantum computation. This perspective focuses on identifying scientifically meaningful use cases where early fault-tolerant quantum computers, which are considered to be equipped with approximately 25--100 logical qubits, could deliver tangible impact. While recent advances in classical computing have pushed the boundaries of tractable simulations to unprecedented scales, this logical-qubit regime represents the first window where quantum devices can pursue qualitatively distinct strategies, such as polynomial-scaling phase estimation, direct simulation of quantum dynamics, and active-space embedding, that remain challenging for classical solvers, for instance, multireference charge-transfer and conical-intersection states central to photochemistry and materials design. We highlight near-term opportunities in algorithm and software design, discuss representative chemical problems suited for quantum acceleration, and propose strategic roadmaps and collaborative pathways for advancing practical quantum utility in quantum chemistry. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2506_19337 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | A Perspective on Quantum Computing Applications in Quantum Chemistry using 25--100 Logical Qubits Alexeev, Yuri Batista, Victor S. Bauman, Nicholas Bertels, Luke Claudino, Daniel Dutta, Rishab Gagliardi, Laura Godwin, Scott Govind, Niranjan Head-Gordon, Martin Hermes, Matthew Kowalski, Karol Li, Ang Liu, Chenxu Liu, Junyu Liu, Ping Garcia-Lustra, Juan M. Mejia-Rodriguez, Daniel Mueller, Karl Otten, Matthew Peng, Bo Raugus, Mark Reiher, Markus Rigor, Paul Shaw, Wendy van Schilfgaarde, Mark Vegge, Tejs Zhang, Yu Zheng, Muqing Zhu, Linghua Quantum Physics The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource requirements for simulating quantum systems, quantum chemistry has long been recognized as a natural candidate for quantum computation. This perspective focuses on identifying scientifically meaningful use cases where early fault-tolerant quantum computers, which are considered to be equipped with approximately 25--100 logical qubits, could deliver tangible impact. While recent advances in classical computing have pushed the boundaries of tractable simulations to unprecedented scales, this logical-qubit regime represents the first window where quantum devices can pursue qualitatively distinct strategies, such as polynomial-scaling phase estimation, direct simulation of quantum dynamics, and active-space embedding, that remain challenging for classical solvers, for instance, multireference charge-transfer and conical-intersection states central to photochemistry and materials design. We highlight near-term opportunities in algorithm and software design, discuss representative chemical problems suited for quantum acceleration, and propose strategic roadmaps and collaborative pathways for advancing practical quantum utility in quantum chemistry. |
| title | A Perspective on Quantum Computing Applications in Quantum Chemistry using 25--100 Logical Qubits |
| topic | Quantum Physics |
| url | https://arxiv.org/abs/2506.19337 |