Closed-loop calculations of electronic structure on a quantum processor and a classical supercomputer at full scale

Quantum Physics arXiv:2511.00224 (quant-ph) [Submitted on 31 Oct 2025] Title:Closed-loop calculations of electronic structure on a quantum processor and a classical supercomputer at full scale Authors:Tomonori Shirakawa, Javier Robledo-Moreno, Toshinari Itoko, Vinay Tripathi, Kento Ueda, Yukio Kawashima, Lukas Broers, William Kirby, Himadri Pathak, Hanhee Paik, Miwako Tsuji, Yuetsu Kodama, Mitsuhisa Sato, Constantinos Evangelinos, Seetharami Seelam, Robert Walkup, Seiji Yunoki, Mario Motta, Petar Jurcevic, Hiroshi Horii, Antonio Mezzacapo View a PDF of the paper titled Closed-loop calculations of electronic structure on a quantum processor and a classical supercomputer at full scale, by Tomonori Shirakawa and 20 other authors View PDF HTML (experimental) Abstract:Quantum computers must operate in concert with classical computers to deliver on the promise of quantum advantage for practical problems. To achieve that, it is important to understand how quantum and classical computing can interact together, and how one can characterize the scalability and efficiency of hybrid quantum-classical workflows. So far, early experiments with quantum-centric supercomputing workflows have been limited in scale and complexity. Here, we use a Heron quantum processor deployed on premises with the entire supercomputer Fugaku to perform the largest computation of electronic structure involving quantum and classical high-performance computing. We design a closed-loop workflow between the quantum processors and 152,064 classical nodes of Fugaku, to approximate the electronic structure of chemistry models beyond the reach of exact diagonalization, with accuracy comparable to some all-classical approximation methods. Our work pushes the limits of the integration of quantum and classical high-performance computing, showcasing computational resource orchestration at the largest scale possible for current classical supercomputers. Subjects: Quantum Physics (quant-ph); Strongly Correlated Electrons (cond-mat.str-el); Computational Physics (physics.comp-ph) Cite as: arXiv:2511.00224 [quant-ph] (or arXiv:2511.00224v1 [quant-ph] for this version) https://doi.org/10.48550/arXiv.2511.00224 Focus to learn more arXiv-issued DOI via DataCite (pending registration) Submission history From: Antonio Mezzacapo [view email] [v1] Fri, 31 Oct 2025 19:42:07 UTC (11,949 KB) Full-text links: Access Paper: View a PDF of the paper titled Closed-loop calculations of electronic structure on a quantum processor and a classical supercomputer at full scale, by Tomonori Shirakawa and 20 other authorsView PDFHTML (experimental)TeX Source view license Current browse context: quant-ph new | recent | 2025-11 Change to browse by: cond-mat cond-mat.str-el physics physics.comp-ph References & Citations INSPIRE HEP NASA ADSGoogle Scholar Semantic Scholar export BibTeX citation Loading... BibTeX formatted citation × loading... Data provided by: Bookmark Bibliographic Tools Bibliographic and Citation Tools Bibliographic Explorer Toggle Bibliographic Explorer (What is the Explorer?) Connected Papers Toggle Connected Papers (What is Connected Papers?) Litmaps Toggle Litmaps (What is Litmaps?) scite.ai Toggle scite Smart Citations (What are Smart Citations?) Code, Data, Media Code, Data and Media Associated with this Article alphaXiv Toggle alphaXiv (What is alphaXiv?) Links to Code Toggle CatalyzeX Code Finder for Papers (What is CatalyzeX?) DagsHub Toggle DagsHub (What is DagsHub?) GotitPub Toggle Gotit.pub (What is GotitPub?) Huggingface Toggle Hugging Face (What is Huggingface?) Links to Code Toggle Papers with Code (What is Papers with Code?) ScienceCast Toggle ScienceCast (What is ScienceCast?) Demos Demos Replicate Toggle Replicate (What is Replicate?) Spaces Toggle Hugging Face Spaces (What is Spaces?) Spaces Toggle TXYZ.AI (What is TXYZ.AI?) Related Papers Recommenders and Search Tools Link to Influence Flower Influence Flower (What are Influence Flowers?) Core recommender toggle CORE Recommender (What is CORE?) Author Venue Institution Topic About arXivLabs arXivLabs: experimental projects with community collaborators arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website. Both individuals and organizations that work with arXivLabs have embraced and accepted our values of openness, community, excellence, and user data privacy. arXiv is committed to these values and only works with partners that adhere to them. Have an idea for a project that will add value for arXiv's community? Learn more about arXivLabs. Which authors of this paper are endorsers? | Disable MathJax (What is MathJax?)