Scientific knowledge increasingly depends on complex computational processes where both hardware and software layers can influence research outcomes. As computational complexity grows, classical-quantum integration provides a lens for examining how the scientific method adapts, particularly regarding a foundational principle of scientific validation - reproducibility. Building upon previous warnings of an ongoing reproducibility crisis in the computational context, this paper examines challenges across classical (HPC) and quantum computing. Despite its deterministic nature, HPC faces reproducibility threats from hardware dependencies, documentation inadequacies, disincentivizing research culture and infrastructure variation. Quantum computing, at low technological maturity, amplifies some challenges, while creating new ones through probabilistic outputs, hardware-specific noise, and tight software-hardware coupling. Classical-quantum integration reveals a telling pattern, where current reproducibility frameworks prove inadequate, as infrastructure blends with the results. Quantum integration serves as a catalyst exposing methodological limitations across the computational domain. We propose a workflow-centered path forward, pointing to the value of gradual cultural shift toward workflow-centered scientific practice. By developing meta-workflows that document both process abstractions and implementation contexts, we create a more robust foundation for scientific knowledge that acknowledges complexity without sacrificing rigor. The path forward involves embracing this evolution in understanding scientific knowledge rather than resisting it
Scientific knowledge increasingly depends on complex computational processes where both hardware and software layers can influence research outcomes. As computational complexity grows, classical-quantum integration provides a lens for examining how the scientific method adapts, particularly regarding a foundational principle of scientific validation - reproducibility. Building upon previous warnings of an ongoing reproducibility crisis in the computational context, this paper examines challenges across classical (HPC) and quantum computing. Despite its deterministic nature, HPC faces reproducibility threats from hardware dependencies, documentation inadequacies, disincentivizing research culture and infrastructure variation. Quantum computing, at low technological maturity, amplifies some challenges, while creating new ones through probabilistic outputs, hardware-specific noise, and tight software-hardware coupling. Classical-quantum integration reveals a telling pattern, where current reproducibility frameworks prove inadequate, as infrastructure blends with the results. Quantum integration serves as a catalyst exposing methodological limitations across the computational domain. We propose a workflow-centered path forward, pointing to the value of gradual cultural shift toward workflow-centered scientific practice. By developing meta-workflows that document both process abstractions and implementation contexts, we create a more robust foundation for scientific knowledge that acknowledges complexity without sacrificing rigor. The path forward involves embracing this evolution in understanding scientific knowledge rather than resisting it
The integration of quantum computing technologies with established classical infrastructure represents a transformative advancement in computational capabilities. This manuscript addresses architectural frameworks enabling seamless orchestration between quantum and classical environments through container-based methodologies. Kubernetes extensions provide standardized interfaces for managing hybrid workloads while ensuring reproducibility across experimental iterations. Custom resource definitions facilitate quantum job specifications with appropriate hardware requirements, while specialized operators handle complex scheduling demands inherent to quantum processing. Implementation architectures demonstrate enhanced resource utilization through dynamic allocation mechanisms that accommodate both paradigms simultaneously. Practical evaluations reveal substantial improvements in workflow automation when orchestration platforms coordinate quantum simulators alongside cloud-based quantum processing units. The extensibility of container-based solutions proves particularly valuable for enterprises navigating evolving quantum hardware landscapes. The technological foundation described establishes a robust framework for quantum-classical integration while addressing security and deployment considerations. Findings indicate strategic advantages in adopting containerized approaches for quantum workflow management, particularly regarding experimental reproducibility and resource optimization across heterogeneous computing environments.
High-performance computing (HPC) has evolved over decades through multiple architectural transitions, from vector supercomputers to massively parallel CPU clusters and GPU-accelerated systems, continuously expanding the frontier of scientific discovery. With the emergence of quantum processing units (QPUs) as practical computational accelerators, a new opportunity arises to further extend this trajectory by integrating quantum and classical computing paradigms. Building on the emerging vision of Quantum Integrated High-Performance Computing (QHPC), this paper contributes a full-stack layered architecture that integrates QPUs as first-class accelerators within, not merely alongside, the classical HPC software and hardware stack, with tight, on-premise quantum–classical coupling as its defining characteristic. The architecture comprises of unified resource management, quantum-aware scheduling, hybrid workflow orchestration, middleware and programming abstraction, interconnect technologies, and a tiered execution model enabling seamless workload partitioning across classical and quantum backends. A central aspect of this architecture is a strong user requests abstraction layer that exposes heterogeneous resources through a unified job submission interface, similar in spirit to existing schedulers such as Slurm, allowing users to describe workloads in a consistent template independent of underlying compute type or location. Drawing insights from prior accelerator integration eras, we outline how QHPC can support emerging workloads in quantum chemistry, materials discovery, combinatorial optimization, and climate modeling. We conclude by highlighting open challenges in building scalable, reliable, and programmable quantum–classical infrastructures that seamlessly connect global users to heterogeneous compute resources for future quantum–classical HPC ecosystems.
High-performance computing (HPC) has evolved over decades through multiple architectural transitions, from vector supercomputers to massively parallel CPU clusters and GPU-accelerated systems, continuously expanding the frontier of scientific discovery. With the emergence of quantum processing units (QPUs) as practical computational accelerators, a new opportunity arises to further extend this trajectory by integrating quantum and classical computing paradigms. Building on the emerging vision of Quantum Integrated High-Performance Computing (QHPC), this paper contributes a full-stack layered architecture that integrates QPUs as first-class accelerators within, not merely alongside, the classical HPC software and hardware stack, with tight, on-premise quantum-classical coupling as its defining characteristic. The architecture comprises of unified resource management, quantum-aware scheduling, hybrid workflow orchestration, middleware and programming abstraction, interconnect technologies, and a tiered execution model enabling seamless workload partitioning across classical and quantum backends. A central aspect of this architecture is a strong user requests abstraction layer that exposes heterogeneous resources through a unified job submission interface, similar in spirit to existing schedulers such as Slurm, allowing users to describe workloads in a consistent template independent of underlying compute type or location. Drawing insights from prior accelerator integration eras, we outline how QHPC can support emerging workloads in quantum chemistry, materials discovery, combinatorial optimization, and climate modeling. We conclude by highlighting open challenges in building scalable, reliable, and programmable quantum-classical infrastructures that seamlessly connect global users to heterogeneous compute resources for future quantum-classical HPC ecosystems.
The connection and eventual integration of High-Performance Computing (HPC) with Quantum Computing (QC) represents a transformative advancement in computational technology, promising significant enhancements in solving complex, previously intractable problems. This manuscript provides a comprehensive overview of the current state of HPC-QC interfacing, detailing architectural methodologies, software stack developments, middleware functionalities, and hardware integration strategies. It critically assesses existing hardware-level integration models, ranging from standalone and loosely-coupled architectures to tightly-integrated and on-node systems. The software ecosystem is analyzed, highlighting prominent frameworks such as Qiskit, PennyLane, CUDA-Q, and middleware solutions like Pilot-Quantum, essential for seamless hybrid computing environments. Furthermore, the manuscript discusses practical applications in optimization, machine learning, and many-body dynamics, where hybrid HPC-QC systems can offer substantial advantages. It also describes existing challenges, including hardware limitations (coherence, scalability, connectivity), software maturity, communication overhead, resource management complexities, and cost factors. Finally, future directions towards tighter hardware and software integration are discussed, emphasizing ongoing research developments and emerging trends that promise to expand the capabilities and accessibility of hybrid HPC-QC systems.
Quantum computers are moving into HPC centers, and the main challenge is now integration rather than pure hardware access. Many current software paths still depend on vendor-specific adapter chains between user SDKs, schedulers, and backend APIs. This pattern makes operations more complex than necessary and slows the transition from pilots to production workflows. We present a practical integration path centered on the Quantum Device Management Interface (QDMI). Using IQM superconducting systems as a hardware case study, we implement an IQM-backed QDMI layer and connect it to two software layers that HPC centers working with quantum computers already care about: Slurm-based job execution and Qiskit-facing user workflows. The implementation is publicly available at https://github.com/iqm-finland/QDMI-on-IQM. The key message is simple: integrating quantum hardware into HPC does not have to be a bespoke engineering effort for each backend. Once the software-hardware boundary is standardized, large parts of the stack become reusable across providers and deployment styles. Our results do not claim that standardization eliminates all HPCQC challenges. They show that this specific boundary can already be standardized today in a way that is practical for users, operators, and vendors.
Quantum computing research increasingly depends on complex software stacks, yet the reproducibility of published results does not receive the priority and longevity mandated by recommendations of large international scientific bodies and best practices in software-centric systems research. In this paper, we present a combined manual and automated large-scale analysis of the reproducibility landscape in quantum computing research, quantify shortcomings, and derive actionable steps forward.
We manually evaluate a curated sample of 127 papers using a five-question framework that covers code availability, environment specification, documentation, hardware description, and executability. To place these findings in a broader context, we conduct an automated large-scale screening of nearly 5000 quantum computing papers for the same reproducibility indicators. Our manual analysis reveals that only 24.4% of the sampled papers provide code artefacts, and among those, 64.5% fail to execute successfully in a clean environment. This assessment is corroborated by a large-scale automated analysis that yields a consistent code availability rate of 26.8%. Further, it shows that approximately one-third of the papers with accessible code lack machine-readable environment specifications.
The results in this paper indicate that reproducibility is not yet consistently achieved in quantum computing research. In response, we outline a set of practical recommendations that address the observed failure modes and illustrate how reproducibility can be improved in practice.