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arXiv:2603.26904

Are LLMs Good For Quantum Software, Architecture, and System Design?

Sourish Wawdhane, Poulami Das

quant-phcs.AISubmitted Mar 27, 2026• Announced Mar 31, 2026• 0 citations
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Abstract

Quantum computers promise massive computational speedup for problems in many critical domains, such as physics, chemistry, cryptanalysis, healthcare, etc. However, despite decades of research, they remain far from entering an era of utility. The lack of mature software, architecture, and systems solutions capable of translating quantum-mechanical properties of algorithms into physical state transformations on qubit devices remains a key factor underlying the slow pace of technological progress. The problem worsens due to significant reliance on domain-specific expertise, especially for software developers, computer architects, and systems engineers. To address these limitations and accelerate large-scale high-performance quantum system design, we ask: Can large language models (LLMs) help with solving quantum software, architecture, and systems problems? In this work, we present a case study assessing the performance of LLMs on quantum system reasoning tasks. We evaluate nine frontier LLMs and compare their performance to graduate UT Austin students on a set of quantum computing problems. Finally, we recommend several directions along which research and engineering development efforts must be pursued.

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Quantum computers promise massive computational speedup for problems in many critical domains, such as physics, chemistry, cryptanalysis, healthcare, etc. However, despite decades of research, they remain far from entering an era of utility. The lack of mature software, architecture, and systems solutions capable of translating quantum-mechanical properties of algorithms into physical state transformations on qubit devices remains a key factor underlying the slow pace of technological progress. The problem worsens due to significant reliance on domain-specific expertise, especially for software developers, computer architects, and systems engineers. To address these limitations and accelerate large-scale high-performance quantum system design, we ask:
Can large language models (LLMs) help with solving quantum software, architecture, and systems problems?
In this work, we present a case study assessing the performance of LLMs on quantum system reasoning tasks. We evaluate nine frontier LLMs and compare their performance to graduate UT Austin students on a set of quantum computing problems. Finally, we recommend several directions along which research and engineering development efforts must be pursued.
Large Language Models (LLMs) contribute significantly to the development of conversational AI and has great potentials to assist the scientific research in various areas. This paper attempts to address the following questions: What opportunities do the current generation of generative pre-trained transformers (GPTs) offer for the developments of noisy intermediate-scale quantum (NISQ) technologies? Additionally, what potentials does the forthcoming generation of GPTs possess to push the frontier of research in fault-tolerant quantum computing (FTQC)? In this paper, we implement a QGAS model, which can rapidly propose promising ansatz architectures and evaluate them with application benchmarks including quantum chemistry and quantum finance tasks. Our results demonstrate that after a limited number of prompt guidelines and iterations, we can obtain a high-performance ansatz which is able to produce comparable results that are achieved by state-of-the-art quantum architecture search methods. This study provides a simple overview of GPT's capabilities in supporting quantum computing research while highlighting the limitations of the current GPT at the same time. Additionally, we discuss futuristic applications for LLM in quantum research.
Abstract Quantum computing is steadily transitioning from theoretical exploration to experimental deployment, bringing with it distinct engineering challenges. This shift has led to the emergence of Quantum Software Engineering (QSE), a research area that adapts and extends software engineering principles to the quantum domain. In parallel, Large Language Models (LLMs) have become widely adopted in classical software development workflows. Although their potential to assist QSE tasks is increasingly discussed, existing evidence remains fragmented across research venues and practitioner sources. This study presents a Multivocal Literature Review that systematically synthesizes peer-reviewed and grey literature to characterize how LLMs are used in QSE and assess their reported limitations. We identified and analyzed 24 primary sources, mapped their contributions onto the quantum software development lifecycle, examined the distribution of adopted LLM families, and synthesized recurring limitations. The results show that LLM adoption in QSE is predominantly code-centric, with most studies focusing on program synthesis, repair, and refactoring, while lifecycle phases such as requirements engineering, architectural reasoning, and comprehensive validation receive limited attention. Reported challenges include semantic inaccuracies, execution failures on real quantum backends, sensitivity to prompt formulation, and limited domain coverage. Moreover, the empirical landscape is largely shaped by proprietary models, raising concerns regarding reproducibility and longitudinal comparability. Overall, current evidence suggests that LLMs function primarily as assistive tools for bounded tasks rather than as robust, lifecycle-spanning engineering agents in quantum software development.
Large language models (LLMs) promise transformative change to fields as diverse as medical diagnosis, legal services, and software development. One reason for such an impact is LLMs’ ability to make highly technical endeavors more accessible to a broader audience. Accessibility has long been a goal for the growing fields of quantum computing, informatics, and engineering, especially as more quantum systems become publicly available via cloud interfaces. Between programming quantum computers and using LLMs, the latter seems the more accessible task: while leveraging an LLM’s fullest potential requires experience with prompt engineering, any literate person can provide queries and read responses. By contrast, designing and executing quantum programs—outside of those available online—requires significant background knowledge, from selection of operations for algorithm implementation to configuration choices for particular hardware specifications and providers. Current research is exploring LLM utility for classical software development, but there has been relatively little investigation into the same for quantum programming. Consequently, this work is a first look at how well an uncustomized, publicly available LLM can write straightforward quantum circuits. We examine how well OpenAI’s ChatGPT (GPT-4) can write quantum circuits for two hardware providers: the superconducting qubit machines of IBM and the photonic devices of Xanadu. We find that ChatGPT currently fares substantially better with the former.
Major engineering challenges are hard to solve computationally because they are very complex, have a high number of dimensions and they are non-linear. The paper introduces a new Quantum-AI Hybrid Algorithmic Framework that unites quantum computing and artificial intelligence, mainly Large Language Models (LLMs), to address such issues efficiently. It uses quantum processes to help with probabilistic sampling and reducing the search space and it uses LLMs for logical reasoning, generating code and adjusting parameters to fit the requirements of the given problem. Adding knowledge from a specific engineering area into the update stages using LLM prompts helps the suggested system improve both the speed of convergence and scalability compared to AI-only methods. Testing on structural design, power system development and fluid dynamics problems showed that GhostFlow converges faster than other similar software (up to 40%40 \%40% faster) and results in improved accuracy (up to 25%25 \%25% better). It highlights how enhancing quantum-AI with LLM intelligence can lead to important improvements in how computing works in the future.
Large Language Models (LLMs) have already reshaped many aspects of traditional software engineering, from code generation and debugging to automated testing and maintenance. As an important research sub-domain in the software engineering area, quantum software engineering (QSE) is poised to undergo a similar transformation. As QSE moves toward broader adoption, including the generation of quantum code, program testing, and automated program repair, LLMs will likely play a key supporting role in its development. However, despite encouraging early attempts, the community still lacks a roadmap for using LLMs in QSE. Without such a roadmap, opportunities may be missed, challenges may remain unrevealed, and risks may be overlooked. In this article, we present our vision for how LLMs can advance QSE, focusing on four core tasks: program modeling and analysis, program generation, testing, and repair. We outline the opportunities and unique challenges, identify the risks inherent in this integration, and propose a research agenda to guide the community toward realizing the full potential of LLM-powered QSE.
There exist various Software Development Kits (SDKs) tailored to different quantum computing platforms. These are known as Quantum SDKs (QSDKs). Examples include but are not limited to Qiskit, Cirq, and PennyLane. However, this diversity presents significant challenges for interoperability and cross-platform development of hybrid quantum-classical software systems. Traditional rule-based transpilers for translating code between QSDKs are time-consuming to design and maintain, requiring deep expertise and rigid mappings in the source and destination code. In this study, we explore the use of Large Language Models (LLMs) as a flexible and automated solution. Leveraging their pretrained knowledge and contextual reasoning capabilities, we position LLMs as programming language-agnostic transpilers capable of converting quantum programs from one QSDK to another while preserving functional equivalence. Our approach eliminates the need for manually defined transformation rules and offers a scalable solution to quantum software portability. This work represents a step toward enabling intelligent, generalpurpose transpilation in the quantum computing ecosystem.