Closed-loop calculations of electronic structure on a quantum processor and a classical supercomputer at full scale
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.
Cite
@article{arxiv.2511.00224,
title = {Closed-loop calculations of electronic structure on a quantum processor and a classical supercomputer at full scale},
author = {Tomonori Shirakawa and Javier Robledo-Moreno and Toshinari Itoko and Vinay Tripathi and Kento Ueda and Yukio Kawashima and Lukas Broers and William Kirby and Himadri Pathak and Hanhee Paik and Miwako Tsuji and Yuetsu Kodama and Mitsuhisa Sato and Constantinos Evangelinos and Seetharami Seelam and Robert Walkup and Seiji Yunoki and Mario Motta and Petar Jurcevic and Hiroshi Horii and Antonio Mezzacapo},
journal= {arXiv preprint arXiv:2511.00224},
year = {2025}
}