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arXiv:2609.31528

Quantum-HPC Workflows Across Multiple Quantum Computing Platforms: Two Case Studies

Philipp Seitz, Miwako Tsuji, John Children, Yuta Kikuchi, Riku Masui, Juan Pedersen, Kentaro Yamamoto, Ross Duncan

quant-phcs.DCSubmitted Sep 25, 2026• Announced Sep 28, 2026• 0 citations
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Abstract

We describe the Quantum-HPC hybrid system comprising the supercomputer Fugaku, the QPUs Quantinuum Reimei and ibm_kobe, and the Tierkreis hybrid workflow software. We present two demonstrations of the system at work. In the first, we compute the excited states of a biomolecular system using Fugaku and Reimei (simulator) to handle classical and quantum parts of the workflow respectively. In the second, Fugaku coordinates Reimei and ibm_kobe working together in a combined VQE + QPE workflow to compute the ground state energy of a simple system.

Comments
10 pages, 7 figures, 6 tables, accepted at SFWM SC26

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•Jan 22, 2026•1 citation
We describe the Quantum-HPC hybrid system comprising the supercomputer Fugaku, the QPUs Quantinuum Reimei and ibm_kobe, and the Tierkreis hybrid workflow software. We present two demonstrations of the system at work. In the first, we compute the excited states of a biomolecular system using Fugaku and Reimei (simulator) to handle classical and quantum parts of the workflow respectively. In the second, Fugaku coordinates Reimei and ibm_kobe working together in a combined VQE + QPE workflow to compute the ground state energy of a simple system.
We develop a workflow within the ONIOM framework and demonstrate it on the hybrid computing system consisting of the supercomputer Fugaku and the Quantinuum Reimei trapped-ion quantum computer. This hybrid platform extends the layered approach for biomolecular chemical reactions to accurately treat the active site, such as a protein, and the large and often weakly correlated molecular environment. Our result marks a significant milestone in enabling scalable and accurate simulation of complex biomolecular reactions
In this work, we demonstrate hybrid High Performance Computing-Quantum Computing (HPCQC) workflows on a production petascale system. The demonstration combines three components: the SuperMUC-NG supercomputer at the Leibniz Supercomputing Centre (LRZ), a 20-qubit superconducting quantum processor provided by IQM Quantum Computers (IQM), and Munich Quantum Valley (MQV)'s Munich Quantum Software Stack (MQSS). Integrating quantum processors into High Performance Computing (HPC) systems requires a heterogeneous software stack capable of orchestrating classical and quantum resources within established supercomputing workflows. MQSS treats Quantum Processing Units (QPUs) as scheduler-managed accelerators and it performs resource coordination following a two-level scheduling scheme. Slurm performs system-level allocation by exposing QPUs as Generic RESources (GRES), while the MQSS Quantum Resource Manager & Compiler Infrastructure (QRM&CI) performs just-in-time compilation and subsequent dispatch of quantum circuits. To integrate with existing HPC operations without modifying the scheduler core, MQSS introduces an open-source SLURM Plugin Suite based on Prolog/Epilog scripts and SPANK modules. Experimental results show that hybrid HPCQC workflows can be executed without significant latency overhead compared to conventional workloads. The presented architecture provides a portable integration model for quantum accelerators on large-scale HPC systems and is directly applicable to next-generation Hewlett Packard Enterprise (HPE) Cray platforms, including LRZ's upcoming 'Blue Lion' supercomputer.
Quantum computers have demonstrated utility in simulating quantum systems beyond brute-force classical approaches. As the community builds on these demonstrations to explore using quantum computing for applied research, algorithms and workflows have emerged that require leveraging both quantum computers and classical high-performance computing (HPC) systems to scale applications, especially in chemistry and materials, beyond what either system can simulate alone. Today, these disparate systems operate in isolation, forcing users to manually orchestrate workloads, coordinate job scheduling, and transfer data between systems -- a cumbersome process that hinders productivity and severely limits rapid algorithmic exploration. These challenges motivate the need for flexible and high-performance Quantum-Centric Supercomputing (QCSC) systems that integrate Quantum Processing Units (QPUs), Graphics Processing Units (GPUs), and Central Processing Units (CPUs) to accelerate discovery of such algorithms across applications. These systems will be co-designed across quantum and classical HPC infrastructure, middleware, and application layers to accelerate the adoption of quantum computing for solving critical computational problems. We envision QCSC evolution through three distinct phases: (1) quantum systems as specialized compute offload engines within existing HPC complexes; (2) heterogeneous quantum and classical HPC systems coupled through advanced middleware, enabling seamless execution of hybrid quantum-classical algorithms; and (3) fully co-designed heterogeneous quantum-HPC systems for hybrid computational workflows. This article presents a reference architecture and roadmap for these QCSC systems.
Current status of the HPC-QC hybrid activities in the R-CCS, and RIKEN Quantum activities will be given, together with a focus on QC simulation on the Fugaku. A state-vector simulator, "braket" [3], has been developed for HPC [1, 2] and it is now tuning up to the Fugaku. It makes 40-qubits scale simulation easily and execution elapse time is about one second or less per gate, and it will reach to 48 qubits simulation in double precision using full nodes of the Fugaku. As an example, estimation of ground-state energy of spin-1/2 Heisenberg chain is to be shown up to 40 spins using 41 circuits of 40 qubits, which implies exact calculation of 1,641 qubits circuits. Another QC simulator using tensor network method also be developed for HPC.
As quantum computing (QC) technologies mature, their integration into established high-performance computing (HPC) infrastructures is becoming a central objective for next-generation computing systems. However, unlocking the potential of hybrid platforms for computationally demanding workloads remains challenging. The mismatch between quantum and classical programming models, the limited maturity of quantum software stacks, and the scarcity of quantum processing units (QPUs) above all, necessitate scheduling strategies that go beyond standard HPC mechanisms to manage such heterogeneous and constrained resources. To address this issue, we investigate three distinct methodologies for HPC-QC resource scheduling: time-based multiplexing, dynamic resource management, and workflow decomposition. Experimental validation on production HPC clusters and real quantum hardware demonstrates the effectiveness of these approaches under different workload scenarios. Malleability and workflow strategies significantly optimize classical resource utilization, reducing consumption by up to 45.7% and 64% respectively, proving to be best fitted for hybrid jobs where quantum and classical workloads are evenly balanced. Conversely, time-multiplexing enhances QPU utilization and reduces execution time at the cluster level, making it the optimal strategy for the opposite context, which is characterized by high classical-quantum workload imbalances. These findings underscore the practical viability of tailored scheduling strategies for hybrid HPC-QC environments and highlight their complementarity in building efficient, scalable software stacks for next-generation quantum-accelerated facilities.
We present a prototype implementation of the Quantum-Selected Configuration Interaction (QSCI) method on a heterogeneous platform that integrates quantum simulation with high-performance computing (HPC). In this workflow, a GPU-based simulator emulates a quantum processor to prepare and sample reference states via the variational quantum eigensolver (VQE), while CPU nodes perform optimization and large-scale subspace diagonalization using EigenExa. This design enables seamless coordination between quantum state preparation and numerical linear algebra within HPC environments. The framework efficiently handles subspace dimensions up to 100,000 and exhibits favorable scaling with system size. Benchmark experiments on hydrogen chains demonstrate that relatively large systems can be processed within practical runtimes, highlighting the potential of hybrid HPC-QC integration for scalable quantum chemistry.