Quantum hardware has the potential to efficiently solve computationally difficult problems in physics and chemistry to reap enormous practical rewards. Analogue quantum simulation accomplishes this by using the dynamics of a controlled many-body system to mimic those of another system; such a method is feasible on near-term devices. We show that previous theoretical approaches to analogue quantum simulation suffer from fundamental barriers which prohibit scalable experimental implementation. By introducing a new mathematical framework and going beyond the usual toolbox of Hamiltonian complexity theory with an additional resource of engineered dissipation, we show that these barriers can be overcome. This provides a powerful new perspective for the rigorous study of analogue quantum simulators.
Quantum hardware has the potential to efficiently solve computationally difficult problems in physics and chemistry to reap enormous practical rewards. Analogue quantum simulation accomplishes this by using the dynamics of a controlled many-body system to mimic those of another system; such a method is feasible on near-term devices. We show that previous theoretical approaches to analogue quantum simulation suffer from fundamental barriers which prohibit scalable experimental implementation. By introducing a new mathematical framework and going beyond the usual toolbox of Hamiltonian complexity theory with an additional resource of engineered dissipation, we show that these barriers can be overcome. This provides a powerful new perspective for the rigorous study of analogue quantum simulators.
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.
Quantum mechanical problems are among the hardest to simulate and, in some cases, remain intractable even for the most powerful computers. Quantum computing has emerged as a new technological platform to address such challenges, with rapid advances in recent years. Yet, current quantum devices remain noisy and limited in scale. Hence, it is essential to identify classically hard problems of practical interest and tractable with existing quantum devices. Among potential applications, the real-time simulation of quantum systems is one of the most promising to deliver an early, practical quantum advantage. This doctoral thesis is therefore centered around simulating quantum dynamics on quantum devices. We first present an overview of the most relevant quantum algorithms for quantum dynamics, highlighting respective advantages and limitations. Further, we identify relevant problems within quantum dynamics that could benefit from quantum simulation in the near future. Second, we propose a method for benchmarking hardware and error mitigation algorithms that is based on well-understood theoretical results and suffers from no scaling issues. The resulting quality metric is intuitive and transferable to other applications. We successfully implement the scheme on up to 133 qubits, demonstrating coherent evolution up to a two-qubit gate depth of 28, featuring 1396 two-qubit gates, before noise becomes prevalent. Third, we propose a novel variant of probabilistic error amplification to implement open quantum dynamics, relying on characterizing and altering hardware noise to mimic the system-environment interaction under study. Lastly, we present two studies on state preparation and phase classification: first, a hybrid algorithm to prepare ground states of electron-phonon systems; second, a quantum machine learning-based approach to distinguish phases in previously prepared quantum states.
The rapid development in hardware for quantum computing and simulation has led to much interest in problems where these devices can exceed the capabilities of existing classical computers and known methods. Approaching this for problems that go beyond testing the performance of a quantum device is an important step, and quantum simulation of many-body quench dynamics is one of the most promising candidates for early practical quantum advantage. We analyse the requirements for quantitatively reliable quantum simulation beyond the capabilities of existing classical methods for analogue quantum simulators with neutral atoms in optical lattices and trapped ions. Considering the primary sources of error in analogue devices and how they propagate after a quench in studies of the Hubbard or long-range transverse field Ising model, we identify the level of error expected in quantities we extract from experiments. We conclude for models that are directly implementable that regimes of practical quantum advantage are attained in current experiments with analogue simulators. We also identify the hardware requirements to reach the same level of accuracy with future fault-tolerant digital quantum simulation. Verification techniques are already available to test the assumptions we make here, and demonstrating these in experiments will be an important next step.
Quantum computing has the potential to solve complex problems that are outside the scope of classical systems, making it a standard shifter. Current devices, which are considered as Noisy Intermediate-Scale Quantum (NISQ) systems, are insufficient in their practical utility due to hardware limitations, error rates, and qubit counts. The dynamic growths wanted to exceed the NISQ era and grow scalable quantum algorithms and architectures that can achieve useful quantum benefit in real-world applications are reviewed in this research. This research gives a comprehensive examination of the complications in scaling quantum systems, adjacent resource efficacy, qubit connectivity, and error correction. In addition to connecting architectural innovations like modular quantum computing, error-resilient circuit design, and distributed quantum systems, the paper provides new hybrid quantum-classical algorithms planned to exploit performance in noisy environments. Results from benchmarking in arenas like machine learning, optimization, and quantum chemistry show how these methods can provide short-term quantum benefit. Lastly, this paper proposes a research roadmap for quantum computing that highlights the requirement of co-designing algorithms, software, and hardware. The goal of this effort is to straighten the progress of quantum systems that can resolve problems in the real world at scale by addressing the inadequacies of NISQ devices and emphasizing scalable solutions.
Quantum computing introduces a revolutionary approach to solving problems that are computationally beyond the reach of classical systems. Among its most promising applications is the simulation of many-body systems, where strong particle interactions lead to complex quantum behaviors. Traditional computational techniques often fail due to exponential resource requirements, but quantum simulators can efficiently model these interactions through entanglement and superposition. Recent advances in superconducting qubits, trapped ions, and photonic quantum devices have enabled small- scale experimental demonstrations of spin models, Hubbard systems, and correlated electron dynamics. These developments offer new insights into condensed matter physics and quantum phase transitions. As quantum technologies continue to evolve, they hold the potential to transform the study of materials, superconductivity, and other many-body phenomena with remarkable precision and scalability.
Simulations of quantum chemistry and quantum materials are believed to be among the most important applications of quantum information processors. However, realizing practical quantum advantage for such problems is challenging because of the prohibitive computational cost of programming typical problems into quantum hardware. Here we introduce a simulation framework for strongly correlated quantum systems represented by model spin Hamiltonians that uses reconfigurable qubit architectures to simulate real-time dynamics in a programmable way. Our approach also introduces an algorithm for extracting chemically relevant spectral properties via classical co-processing of quantum measurement results. We develop a digital–analogue simulation toolbox for efficient Hamiltonian time evolution using digital Floquet engineering and hardware-optimized multi-qubit operations to accurately realize complex spin–spin interactions. As an example, we propose an implementation based on Rydberg atom arrays. In addition, we show how detailed spectral information can be extracted from the dynamics through snapshot measurements and single-ancilla control, enabling the evaluation of excitation energies and finite-temperature susceptibilities from a single dataset. To illustrate the approach, we show how to use the method to compute key properties of a polynuclear transition-metal catalyst and two-dimensional magnetic materials. Quantum simulations of chemistry and materials are challenging due to the complexity of correlated systems. A framework based on reconfigurable qubit architectures and digital–analogue simulations provides a hardware-efficient path forwards.