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arXiv:2511.13520 · IEEE/ACM International Workshop on Quantum Software Engineering (Q-SE)

Towards Quantum Software for Quantum Simulation

Maja Franz, Lukas Schmidbauer, Joshua Ammermann, Ina Schaefer, Wolfgang Mauerer

quant-phcs.SESubmitted Nov 17, 2025• Announced Nov 18, 2025• 0 citations• Revised Jan 22, 2026 (v2)
v1 · Nov 17, 2025v2 · Jan 22, 2026
arXivHTMLPDF

Abstract

Quantum simulation is a leading candidate for demonstrating practical quantum advantage over classical computation, as it is believed to provide exponentially more compute power than any classical system. It offers new means of studying the behaviour of complex physical systems, for which conventionally software-intensive simulation codes based on numerical high-performance computing are used. Instead, quantum simulations map properties and characteristics of subject systems, for instance chemical molecules, onto quantum devices that then mimic the system under study. Currently, the use of these techniques is largely limited to fundamental science, as the overall approach remains tailored for specific problems: We lack infrastructure and modelling abstractions that are provided by the software engineering community for other computational domains. In this paper, we identify critical gaps in the quantum simulation software stack-particularly the absence of general-purpose frameworks for model specification, Hamiltonian construction, and hardware-aware mappings. We advocate for a modular model-driven engineering (MDE) approach that supports different types of quantum simulation (digital and analogue), and facilitates automation, performance evaluation, and reusability. Through an example from high-energy physics, we outline a vision for a quantum simulation framework capable of supporting scalable, cross-platform simulation workflows.

Journal reference
Proceedings of the 48th International Conference of Software Engineering 2026, Workshop on Quantum Software Engineering (Q-SE@ICSE'26)
DOI
10.1145/3786150.3788611

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Quantum simulation is a leading candidate for demonstrating practical quantum advantage over classical computation, as it is believed to provide exponentially more compute power than any classical system. It offers new means of studying the behaviour of complex physical systems, for which conventionally software-intensive simulation codes based on numerical high-performance computing are used. Instead, quantum simulations map properties and characteristics of subject systems, for instance chemical molecules, onto quantum devices that then mimic the system under study.
Currently, the use of these techniques is largely limited to fundamental science, as the overall approach remains tailored for specific problems: We lack infrastructure and modelling abstractions that are provided by the software engineering community for other computational domains.
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Over the past decade, Artificial Intelligence (AI) has provided enormous new possibilities and opportunities, but also new demands and requirements for software systems. In particular, Machine Learning (ML) has proven useful in almost every vertical application domain. In the decade ahead, an unprecedented paradigm shift from classical computing towards Quantum Computing (QC), with perhaps a quantum-classical hybrid model, is expected. We argue that the Model-Driven Engineering (MDE) paradigm can be an enabler and a facilitator, when it comes to the quantum and the quantum-classical hybrid applications. This includes not only automated code generation, but also automated model checking and verification, as well as model analysis in the early design phases, and model-to-model transformations both at the design-time and at the runtime. In this paper, the vision is focused on MDE for Quantum AI, particularly Quantum ML for the Internet of Things (IoT) and smart Cyber-Physical Systems (CPS) applications.
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