This review gives a survey of numerical algorithms and software to simulate quantum computers. It covers the basic concepts of quantum computation and quantum algorithms and includes a few examples that illustrate the use of simulation software for ideal and physical models of quantum computers.
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.
After the emergence of quantum mechanics and realising its need for an accurate understanding of physical systems, numerical methods were being used to undergo quantum mechanical treatment. With increasing system correlations and size, numerical methods fell rather inefficient, and there was a need to simulate quantum mechanical phenomena on actual quantum computing hardware. Now, with noisy quantum computing machines that have been built and made available to use, realising quantum simulations are edging towards a practical reality. In this paper, we talk about the progress that has been made in the field of quantum simulations by actual quantum computing hardware and talk about some very fascinating fields where it has expanded its branches, too. Not only that, but we also review different software tool-sets available to date, which are to lay the foundation for realising quantum simulations in a much more comprehensive manner.
This document aims to describe the methodology of quantum lattice gas algorithm based quantum physics simulations with details on implementation using graphics processing units. A variety of examples illustrating the general application of these methods are included. These examples are used to highlight topics such as scaling, potentials, momentums, multiple particle and dimensions, and various Hamiltonians in quantum simulations. Although intended to fullfill the doctor of philosophy degree requirement, this document is well suited as an introduction to this approach to modeling physics. In recent times parallelization has significantly improved the available computational power. Graphics processing units (GPUs) are a shining example of this, with thousands of compute cores and continually improved general computational capabilities, these processors can outshine their central processing unit (CPU) counterparts by orders of magnitude. Presented here are a number of examples of efficient computational methods for simulating physics using GPUs. Our quantum simulation method involves the quantum lattice gas model of quantum computation [59, 68, 64], however much of the parallel technology implementation is applicable to other numerical approaches. The quantum lattice gas model of computation is based on a unitary stream-collide quantum algorithm applied repeatedly over time upon an ordered array of qubits [53, 56, 68, 61, 63, 67]. The stream-collide quantum algorithm represents local quantum evolution of the system of quantum particles whose motion is constrained to reside on a spacetime lattice. Each particle in the system undergoes a quantum walk, interacting locally with other particles in the system that may reside on the same point. We will first mathematically describe the basic idea of quantum lattice gas algorithms. Next we will discuss GPUs and the basic features needed for implementation. We will then describe several examples of quantum lattice gas algorithm approach to illustrate the various applications and implementation challenges. Of particular interest is a look at modeling time-dependent many-body quantum mechanics using quantum lattice gas methods. For practical purposes we focus on the case of two fermions governed by the nonrelativistic Schrödinger equation. Numerical comparisons to analytic prediction show the high accuracy of these methods. Quantum lattice gas methods are chosen as a unitary algorithm for time dependent quantum simulation as they are efficient, accurate, and avoid the Fermi sign problem. Our findings from two-particle simulations under various conditions include the physics of the one and two particle systems diverging in their respective time-dependent behavior with increasing entanglement. We also confirm the multiple particle extension of the Ehrenfest theorem. Using the examples discussed throughout this document, we will then describe our specific computational implementation utilizing the computational power of GPUs through Nvidia’s compute unified device architecture (CUDA) language. Here we will discuss the open source software our group is developing based on these methods, along with some implementation verification and debugging concepts. Education is another application peripherally connected to this work and our software. The applications of this type of modeling as a learning tool is not fully explored yet, but the opportunities are promising.
Numerical simulation of quantum systems is crucial to further our understanding of natural phenomena. Many systems of key interest and importance, in areas such as superconducting materials and quantum chemistry, are thought to be described by models which we cannot solve with sufficient accuracy, neither analytically nor numerically with classical computers. Using a quantum computer to simulate such quantum systems has been viewed as a key application of quantum computation from the very beginning of the field in the 1980s. Moreover, useful results beyond the reach of classical computation are expected to be accessible with fewer than a hundred qubits, making quantum simulation potentially one of the earliest practical applications of quantum computers. In this paper we survey the theoretical and experimental development of quantum simulation using quantum computers, from the first ideas to the intense research efforts currently underway.
Numerical simulation of quantum systems is crucial to further our understanding of natural phenomena. Many systems of key interest and importance, in areas such as superconducting materials and quantum chemistry, are thought to be described by models which we cannot solve with sufficient accuracy, neither analytically nor numerically with classical computers. Using a quantum computer to simulate such quantum systems has been viewed as a key application of quantum computation from the very beginning of the field in the 1980s. Moreover, useful results beyond the reach of classical computation are expected to be accessible with fewer than a hundred qubits, making quantum simulation potentially one of the earliest practical applications of quantum computers. In this paper we survey the theoretical and experimental development of quantum simulation using quantum computers, from the first ideas to the intense research efforts currently underway.
Quantum Computing (QC) claims to improve the efficiency of solving complex problems, compared to classical computing. When QC is integrated with Machine Learning (ML), it creates a Quantum Machine Learning (QML) system. This paper aims to provide a thorough understanding of the foundational concepts of QC and its notable advantages over classical computing. Following this, we delve into the key aspects of QML in a detailed and comprehensive manner. In this survey, we investigate a variety of QML algorithms, discussing their applicability across different domains. We examine quantum datasets, highlighting their unique characteristics and advantages. The survey also covers the current state of hardware technologies, providing insights into the latest advancements and their implications for QML. Additionally, we review the software tools and simulators available for QML development, discussing their features and usability. Furthermore, we explore practical applications of QML, illustrating how it can be leveraged to solve real-world problems more efficiently than classical ML methods. This survey aims to consolidate the current landscape of QML and outline key opportunities and challenges for future research.