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Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry
Due to intense interest in the potential applications of quantum computing, it is critical to understand the basis for potential exponential quantum advantage in quantum chemistry. Here we gather the evidence for this case in the most common task in quantum chemistry, namely, ground-state energy est...
Autores principales: | , , , , , , , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10082187/ https://www.ncbi.nlm.nih.gov/pubmed/37029105 http://dx.doi.org/10.1038/s41467-023-37587-6 |
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author | Lee, Seunghoon Lee, Joonho Zhai, Huanchen Tong, Yu Dalzell, Alexander M. Kumar, Ashutosh Helms, Phillip Gray, Johnnie Cui, Zhi-Hao Liu, Wenyuan Kastoryano, Michael Babbush, Ryan Preskill, John Reichman, David R. Campbell, Earl T. Valeev, Edward F. Lin, Lin Chan, Garnet Kin-Lic |
author_facet | Lee, Seunghoon Lee, Joonho Zhai, Huanchen Tong, Yu Dalzell, Alexander M. Kumar, Ashutosh Helms, Phillip Gray, Johnnie Cui, Zhi-Hao Liu, Wenyuan Kastoryano, Michael Babbush, Ryan Preskill, John Reichman, David R. Campbell, Earl T. Valeev, Edward F. Lin, Lin Chan, Garnet Kin-Lic |
author_sort | Lee, Seunghoon |
collection | PubMed |
description | Due to intense interest in the potential applications of quantum computing, it is critical to understand the basis for potential exponential quantum advantage in quantum chemistry. Here we gather the evidence for this case in the most common task in quantum chemistry, namely, ground-state energy estimation, for generic chemical problems where heuristic quantum state preparation might be assumed to be efficient. The availability of exponential quantum advantage then centers on whether features of the physical problem that enable efficient heuristic quantum state preparation also enable efficient solution by classical heuristics. Through numerical studies of quantum state preparation and empirical complexity analysis (including the error scaling) of classical heuristics, in both ab initio and model Hamiltonian settings, we conclude that evidence for such an exponential advantage across chemical space has yet to be found. While quantum computers may still prove useful for ground-state quantum chemistry through polynomial speedups, it may be prudent to assume exponential speedups are not generically available for this problem. |
format | Online Article Text |
id | pubmed-10082187 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-100821872023-04-09 Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry Lee, Seunghoon Lee, Joonho Zhai, Huanchen Tong, Yu Dalzell, Alexander M. Kumar, Ashutosh Helms, Phillip Gray, Johnnie Cui, Zhi-Hao Liu, Wenyuan Kastoryano, Michael Babbush, Ryan Preskill, John Reichman, David R. Campbell, Earl T. Valeev, Edward F. Lin, Lin Chan, Garnet Kin-Lic Nat Commun Article Due to intense interest in the potential applications of quantum computing, it is critical to understand the basis for potential exponential quantum advantage in quantum chemistry. Here we gather the evidence for this case in the most common task in quantum chemistry, namely, ground-state energy estimation, for generic chemical problems where heuristic quantum state preparation might be assumed to be efficient. The availability of exponential quantum advantage then centers on whether features of the physical problem that enable efficient heuristic quantum state preparation also enable efficient solution by classical heuristics. Through numerical studies of quantum state preparation and empirical complexity analysis (including the error scaling) of classical heuristics, in both ab initio and model Hamiltonian settings, we conclude that evidence for such an exponential advantage across chemical space has yet to be found. While quantum computers may still prove useful for ground-state quantum chemistry through polynomial speedups, it may be prudent to assume exponential speedups are not generically available for this problem. Nature Publishing Group UK 2023-04-07 /pmc/articles/PMC10082187/ /pubmed/37029105 http://dx.doi.org/10.1038/s41467-023-37587-6 Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Article Lee, Seunghoon Lee, Joonho Zhai, Huanchen Tong, Yu Dalzell, Alexander M. Kumar, Ashutosh Helms, Phillip Gray, Johnnie Cui, Zhi-Hao Liu, Wenyuan Kastoryano, Michael Babbush, Ryan Preskill, John Reichman, David R. Campbell, Earl T. Valeev, Edward F. Lin, Lin Chan, Garnet Kin-Lic Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry |
title | Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry |
title_full | Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry |
title_fullStr | Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry |
title_full_unstemmed | Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry |
title_short | Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry |
title_sort | evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10082187/ https://www.ncbi.nlm.nih.gov/pubmed/37029105 http://dx.doi.org/10.1038/s41467-023-37587-6 |
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