Academic quantum computing platforms often face unique challenges in executing quantum workloads due to fragmented software environments and limited engineering support. Unlike commercial ecosystems, academic devices typically evolve without full-stack integration in mind, making it difficult to run complex applications—such as variational quantum algorithms (VQA)—reliably and efficiently. Issues such as incompatible software layers and lack of automated job management significantly increase the overhead of theory-experiment collaboration. To address these challenges, we develop a modular, end-to-end workflow that decouples application-layer code from low-level hardware control, automates circuit submission and result collection, and supports fine-grained circuit-level job scheduling and recovery. The architecture employs a dual-end application programming interface (API) design, enabling robust operation across unstable or resource-constrained hardware backends. For practical use, the framework is lightweight and user-friendly, allowing rapid prototyping of full-stack workflows using basic Python tools. We validate this workflow on a high-fidelity trapped-ion quantum computer by demonstrating a variational quantum eigensolver (VQE) experiment with a classically bootstrapped ansatz initialization technique. The system successfully executed over 60,000 circuits across multiple molecular test cases with minimal human intervention, highlighting the framework’s effectiveness in enabling reproducible, resilient quantum experimentation in academic settings.
Academic quantum computing platforms often face unique challenges in executing quantum workloads due to fragmented software environments and limited engineering support. Unlike commercial ecosystems, academic devices typically evolve without full-stack integration in mind, making it difficult to run complex applications—such as variational quantum algorithms (VQA)—reliably and efficiently. Issues such as incompatible software layers and lack of automated job management significantly increase the overhead of theory-experiment collaboration. To address these challenges, we develop a modular, end-to-end workflow that decouples application-layer code from low-level hardware control, automates circuit submission and result collection, and supports fine-grained circuit-level job scheduling and recovery. The architecture employs a dual-end application programming interface (API) design, enabling robust operation across unstable or resource-constrained hardware backends. For practical use, the framework is lightweight and user-friendly, allowing rapid prototyping of full-stack workflows using basic Python tools. We validate this workflow on a high-fidelity trapped-ion quantum computer by demonstrating a variational quantum eigensolver (VQE) experiment with a classically bootstrapped ansatz initialization technique. The system successfully executed over 60,000 circuits across multiple molecular test cases with minimal human intervention, highlighting the framework’s effectiveness in enabling reproducible, resilient quantum experimentation in academic settings.
To enhance the variational quantum eigensolver (VQE), the CAFQA method can utilize classical computational capabilities to identify a better initial state than the Hartree-Fock method. Previous research has demonstrated that the initial state provided by CAFQA recovers more correlation energy than that of the Hartree-Fock method and results in faster convergence. In the present study, we advance the investigation of CAFQA by demonstrating its advantages on a high-fidelity trapped-ion quantum computer located at the Duke Quantum Center -- this is the first experimental demonstration of CAFQA-bootstrapped VQE on a TI device and on any academic quantum device. In our VQE experiment, we use LiH and BeH2 as test cases to show that CAFQA achieves faster convergence and obtains lower energy values within the specified computational budget limits. To ensure the seamless execution of VQE on this academic device, we develop a novel hardware-software interface framework that supports independent software environments for both the circuit and hardware end. This mechanism facilitates the automation of VQE-type job executions as well as mitigates the impact of random hardware interruptions. This framework is versatile and can be applied to a variety of academic quantum devices beyond the trapped-ion quantum computer platform, with support for integration with customized packages.
Variational quantum algorithms are hybrid quantum-classical workflows whose results depend on many interacting choices, including the ansatz, Hamiltonian, optimizer, backend, shot count, noise model, mitigation method, random seed, stopping criteria, and software versions. In current practice, this information is often scattered across code, configuration files, logs, backend metadata, and paper descriptions, making executions difficult to reproduce, compare, debug, and reuse. This paper proposes an ontology-supported framework for representing Variational Quantum Algorithm (VQA) execution records as structured and machine-readable software engineering artifacts. The framework defines a Web Ontology Language (OWL) ontology for modeling the main entities involved in VQA experimentation, including algorithms, circuits, ansatzes, Hamiltonians, optimizers, backends, noise models, mitigation techniques, execution steps, software environments, measurement outcomes, and results. It further combines the ontology with Shapes Constraint Language (SHACL) constraints for validating completeness and consistency, and SPARQL Protocol and RDF Query Language (SPARQL) competency queries for retrieving reproducibility-relevant information. We demonstrate the approach using Variational Quantum Eigensolver (VQE) execution records, including a valid record and intentionally incomplete or inconsistent examples. The results show that the framework can represent complete VQA execution contexts, detect missing or malformed metadata, and support query-based inspection of information needed for reproducible quantum software experimentation.
The rise of physical quantum computer availability and accessibility to the public increases the interest of researchers in various domains. In order to operate the quantum computer, users have to construct their quantum circuit based on each machine manufacturer development kit. Most of these development kits are developed for Python in favor of accessibility and a user-friendly environment. However, the quantum application is not just a quantum circuit execution. It needs the preparation phase and also the output interpreter phase. Each phase may require different computing resources to work efficiently. We developed a Python-based workflow system to assist users in executing their quantum applications within a rich and diverse computing environment, such as large-scale HPC systems. Our workflow system provides interoperability across heterogeneous platforms by introducing an abstraction layer for job submission, allowing both quantum and HPC workloads to be submitted seamlessly to systems with different job-submission interfaces. This workflow system can divide the application into smaller tasks and allow each task to pair with the suitable computing resources. We conducted the experiments by applying this workflow system with Quantum Phase Estimation, Sample-based Quantum Diagonalization, and Post-Variational Quantum Neural Networks. The results of the experiments demonstrate that each divided task from both applications can be executed on different computing resources efficiently.
Quantum Software Engineering (QSE) is emerging as a critical discipline to make quantum computing accessible to a broader developer community; however, most quantum development environments still require developers to engage with low-level details across the software stack—including problem encoding, circuit construction, algorithm configuration, hardware selection, and result interpretation—making them difficult for classical software engineers to use. To bridge this gap, we present C2 ∣Q⟩ , a hardware-agnostic quantum software development framework that translates specific types of classical specifications into quantum-executable programs while preserving methodological rigor. The framework applies modular software engineering principles by classifying the workflow into three core modules: an encoder that classifies problems, produces Quantum-Compatible Formats (QCFs), and constructs quantum circuits, a deployment module that generates circuits and recommends hardware based on fidelity, runtime, and cost, and a decoder that interprets quantum outputs into classical solutions. This architecture supports systematic evaluation across simulators and Noisy Intermediate-Scale Quantum (NISQ) quantum devices, remaining scalable to new problem classes and algorithms. In evaluation, the encoder module achieved a 93.8% completion rate, the hardware recommendation module consistently selected the appropriate quantum devices for workloads scaling up to 56 qubits. End-to-end experiments on 434 Python programs and 100 JSON problem instances demonstrate that the full C2 ∣Q⟩ workflow executes reliably on simulators and can be deployed successfully on representative real quantum hardware, with empirical runs limited to small- and medium-sized instances consistent with current NISQ capabilities. A proxy-based usability analysis further indicates substantial reductions in handwritten lines of code and explicit configuration steps compared to conventional quantum SDK workflows. These results indicate that C2 ∣Q⟩ lowers the entry barrier to quantum software development by providing a reproducible, extensible toolchain that connects classical specifications to quantum execution. The open-source implementation of C2 ∣Q⟩ is available at https://github.com/C2-Q/C2Q and as a ready-to-use Python package at https://pypi.org/project/c2q-framework/ .
Connecting AI-generated quantum programs to executable experiments requires more than syntactically valid code: the workflow must also control execution authority and preserve the basis for interpreting its results. This paper develops a conceptual architecture organized around three responsibilities: AI-assisted circuit proposal, deterministic classical validation, and quantum measurement execution. A quantum-job contract binds circuit artifacts, measurement settings, resource allocations, backend information, and provenance to explicit admission conditions. The design separates permission to run an experiment from evidence that its output answers the intended scientific question. An analytical single-qubit variational example demonstrates this distinction through exact energy calculations, finite-shot variance, and budget-constrained measurement allocation. Responsibility allocation, runtime interception, and staged transformation provide the architectural principles, while uncertainty reporting and reference calculations supply the scientific checks. A prospective evaluation protocol covers accuracy, policy violations, reproducibility, end-to-end cost, and researcher effort. The framework is presented as a design proposal supported by mathematical illustration, not as a tested implementation; its operational benefits and applicability to larger quantum workloads remain to be established.
Hybrid quantum-high performance computing (Q-HPC) workflows are emerging as a key strategy for running quantum applications at scale in current noisy intermediate-scale quantum (NISQ) devices. These workflows must operate seamlessly across diverse simulators and hardware backends since no single simulator offers the best performance for every circuit type. Simulation efficiency depends strongly on circuit structure, entanglement, and depth, making a flexible and backend-agnostic execution model essential for fair benchmarking, informed platform selection, and ultimately the identification of quantum advantage opportunities. In this work, we extend the Quantum Framework (QFw), a modular and HPC-aware orchestration layer, to integrate multiple local backends (Qiskit Aer, NWQ-Sim, QTensor, and TN-QVM) and a cloud-based quantum backend (IonQ) under a unified interface. Using this integration, we execute a number of non-variational as well as variational workloads. The results highlight workload-specific backend advantages: while Qiskit Aer’s matrix product state excels for large Ising models, NWQ-Sim not only leads on large-scale entanglement and Hamiltonian but also shows the benefits of concurrent subproblem execution in a distributed manner for optimization problems. These findings demonstrate that simulator-agnostic, HPC-aware orchestration is a practical path toward scalable, reproducible, and portable Q-HPC ecosystems, thereby accelerating progress toward demonstrating quantum advantage.