We present a comprehensive study of quantum simulation methods and quantum simulators for classical computers. We first study an exhaustive set of 150+ simulators and quantum libraries. Then, we short-list the simulators that are actively maintained and enable simulation of quantum algorithms for more than 10 qubits. As a result, we realize that most efficient and actively maintained simulators have been developed after 2010. We also provide a taxonomy of the most important simulation methods, namely Schrodinger-based, Feynman path integrals, Heisenberg-based, and hybrid methods. We observe that most simulators fall in the category of Schrodinger-based approaches. However, there are a few efficient simulators belonging to other categories. We also make note that quantum frameworks form their own class of software tools that provide more flexibility for algorithm designers with a choice of simulators/simulation method. Another contribution of this study includes the use and classification of optimization methods used in a variety of simulators. We observe that some state-of-the-art simulators utilize a combination of software and hardware optimization techniques to scale up the simulation of quantum circuits. We summarize this study by providing a roadmap for future research that can further enhance the use of quantum simulators in education and research.
We present a comprehensive study of quantum simulation methods and quantum simulators for classical computers. We first study an exhaustive set of 150+ simulators and quantum libraries. Then, we short-list the simulators that are actively maintained and enable simulation of quantum algorithms for more than 10 qubits. As a result, we realize that most efficient and actively maintained simulators have been developed after 2010. We also provide a taxonomy of the most important simulation methods, namely Schrodinger-based, Feynman path integrals, Heisenberg-based, and hybrid methods. We observe that most simulators fall in the category of Schrodinger-based approaches. However, there are a few efficient simulators belonging to other categories. We also make note that quantum frameworks form their own class of software tools that provide more flexibility for algorithm designers with a choice of simulators/simulation method. Another contribution of this study includes the use and classification of optimization methods used in a variety of simulators. We observe that some state-of-the-art simulators utilize a combination of software and hardware optimization techniques to scale up the simulation of quantum circuits. We summarize this study by providing a roadmap for future research that can further enhance the use of quantum simulators in education and research.
Developing state-of-the-art classical simulators of quantum circuits is of utmost importance to test and evaluate early quantum technology and understand the true potential of full-blown error-corrected quantum computers. In the past few years, multiple theoretical and numerical advances have continuously pushed the boundary of what is classically simulable, hence the development of a plethora of tools which are often limited to a specific purpose or designed for a particular hardware (e.g. CPUs vs. GPUs). Moreover, such tools are typically developed using tailored languages and syntax, which makes it hard to compare results from, and create hybrid approaches using, different simulation techniques. To support unified and optimized use of these techniques across platforms, we developed HybridQ , a highly extensible platform designed to provide a common framework to integrate multiple state-of-the-art techniques to run on a variety of hardware. The philosophy behind its development has been driven by three main pillars: Easy to Use, Easy to Extend, and Use the Best Available Technology. The powerful tools of HybridQ allow users to manipulate, develop, and extend noiseless and noisy circuits for different hardware architectures. HybridQ supports large-scale high-performance computing (HPC) simulations, automatically balancing workload among different processor nodes and enabling the use of multiple backends to maximize parallel efficiency. Everything is then glued together by a simple and expressive language that allows seamless switching from one technique to another as well as from one hardware to the next, without the need to write lengthy translations, thus greatly simplifying the development of new hybrid algorithms and techniques.
Optimizing quantum circuits is critical for enhancing computational speed and mitigating errors caused by quantum noise. Effective optimization must be achieved without compromising the correctness of the computations. This survey explores recent advancements in quantum circuit optimization, encompassing both hardware-independent and hardware-dependent techniques. It reviews state-of-the-art approaches, including analytical algorithms, heuristic strategies, machine learning-based methods, and hybrid quantum-classical frameworks. The paper highlights the strengths and limitations of each method, along with the challenges they pose. Furthermore, it identifies potential research opportunities in this evolving field, offering insights into the future directions of quantum circuit optimization.
Abstract The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such as quantum phase estimation (QPE) because fully quantum algorithms require quantum hardware that will not be accessible in the near future. VQE has been successfully applied to solve the electronic Schrödinger equation for a variety of small molecules. However, the scalability of this method is limited by two factors: the complexity of the quantum circuits and the complexity of the classical optimization problem. Both of these factors are affected by the choice of the variational ansatz used to represent the trial wave function. Hence, the construction of an efficient ansatz is an active area of research. Put another way, modern quantum computers are not capable of executing deep quantum circuits produced by using currently available ansatzes for problems that map onto more than several qubits. In this review, we present recent developments in the field of designing efficient ansatzes that fall into two categories—chemistry–inspired and hardware–efficient—that produce quantum circuits that are easier to run on modern hardware. We discuss the shortfalls of ansatzes originally formulated for VQE simulations, how they are addressed in more sophisticated methods, and the potential ways for further improvements.
In the effort to develop useful quantum computers, simulating quantum machines with conventional classical computing resources is a key capability. Such simulations will always face limits, preventing the emulation of quantum computers at substantial scale; however, by pushing the envelope through optimal choices of algorithms and hardware, the value of simulator tools can be maximized. This work reviews state-of-the-art numerical simulation methods, i.e., classical algorithms that emulate quantum computer evolution under specific operations. We focus on the mainstream state-vector and tensor-network paradigms, while briefly mentioning alternative methods. Moreover, we review the diverse applications of simulation across different facets of quantum computer development, including understanding the fundamental differences between quantum and classical computations, exploring algorithmic design for quantum advantage, predicting quantum processor performance at the design stage, and efficiently characterizing fabricated devices for rapid iterations. This review complements recent surveys of current tools and implementations; here, we aim to provide readers with an essential understanding of the theoretical basis of classical simulation methods, a detailed discussion of their advantages and limitations, and an overview of the demands and challenges arising from practical use cases.
The recent surge in interest in quantum computing has led to the emergence of quantum-native software development: a multidisciplinary field that combines quantum information theory, classical software engineering, and system-level orchestration. Hybrid quantum-classical systems, particularly noisy intermediate-scale quantum (NISQ) hardware, which is of interest in the short term, demand interoperability between quantum computation hardware and classical computing resources. The paper takes a broad look at the entire scenario of quantum-native development, in particular, in terms of tooling, design patterns, and debugging paradigms. We conduct a comprehensive survey, including the examination of compiler platforms, SDKs, debugging tools, and simulators. Their new tendencies include quantum workflow orchestration, hybrid execution graphs, circuit reuse, and noise-aware algorithm design, all of which are covered in detail. We also examine the difficulty of debugging with two paradigms: quantum mechanics and classical determinism. Through comparative studies of current frameworks, such as Qiskit, Cirq, and PennyLane, and practical tests of benchmarks, including VQE and QAOA, we will provide guidance to developers, researchers, and system architects working on quantum computers. The article proposes a taxonomy of tools as layered, a pattern repository, and a framework for a debugging pipeline to facilitate future work in both research and implementation. The conceptual contributions are presented in context through tables, flowcharts, and visual references. Overall, the purpose of this paper is to take a step towards the process of quantum software engineering, which would enable the developer community to explore a fresh landscape of quantum-native development