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.
As we begin to reach the limits of classical computing, quantum computing has emerged as a technology that has captured the imagination of the scientific world. While for many years, the ability to execute quantum algorithms was only a theoretical possibility, recent advances in hardware mean that quantum computing devices now exist that can carry out quantum computation on a limited scale. Thus, it is now a real possibility, and of central importance at this time, to assess the potential impact of quantum computers on real problems of interest. One of the earliest and most compelling applications for quantum computers is Feynman's idea of simulating quantum systems with many degrees of freedom. Such systems are found across chemistry, physics, and materials science. The particular way in which quantum computing extends classical computing means that one cannot expect arbitrary simulations to be sped up by a quantum computer, thus one must carefully identify areas where quantum advantage may be achieved. In this review, we briefly describe central problems in chemistry and materials science, in areas of electronic structure, quantum statistical mechanics, and quantum dynamics that are of potential interest for solution on a quantum computer. We then take a detailed snapshot of current progress in quantum algorithms for ground-state, dynamics, and thermal-state simulation and analyze their strengths and weaknesses for future developments.
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.
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.
Quantum computing has emerged as a groundbreaking paradigm in computational science, offering unprecedented capabilities to tackle complex problems that are beyond the reach of classical computing. This paper provides a comprehensive overview of quantum computing technologies and their uses across various domains. We begin by elucidating the fundamental principles of quantum mechanics that underpin quantum computing, including superposition, entanglement, and quantum interference. Subsequently, we delve into the key components of quantum computing architectures, such as qubits, quantum gates, and quantum circuits, highlighting the advancements in hardware implementations, including superconducting qubits, trapped ions, and photonic systems. Finally, we survey a wide array uses of quantum computing across fields such as cryptography, optimization, machine learning, chemistry, and finance, showcasing the transformative potential of this revolutionary technology. Through this survey, we aim to provide researchers, practitioners, and enthusiasts with a comprehensive understanding of the state-of-the-art in quantum computing technologies and their burgeoning applications, thereby fostering further advancements and innovations in this rapidly evolving field.
The development and use of quantum computers has the potential for revolutionary impact on the waycomputing supports chemical applications. Quantum computation for chemical applications has received enormous attention in recent years with rapid progress in both theoretical and experimental fronts. The development of quantum algorithms for quantum chemistry is stimulated by the greater availability of more capable quantum computing devices. But major challenges remain with one key example the development of quantum algorithms for solving chemical problems thought to be intractable for classical computers. Other challenges include understanding the role of quantum entanglement, coherence, and superposition in complex chemical processes such as photosynthesis.Theoretical chemists have encountered and analyzed quantum effects in physical chemistry for decades.Combining the results of the chemical physics community with insights from the quantum informationcommunity can lead to a fresh understanding of important chemical processes and the emergence of thenovel many-body formulations amenable for quantum computing. This Research Topic will invite leading scientists from all over the world who work in the fields of quantum information and computation to report their recent research results.
The field of advanced computing applications could experience a significant impact from quantum computing, which is a rapidly developing field with the potential to revolutionize numerous areas of science and technology. In this review, we explore into the various ways in which complex computational problems could be tackled by utilizing quantum computers, including machine learning, optimization, and simulation. One potential application of quantum computers is in machine learning, where they could be used to improve the accuracy and efficiency of algorithms. Complex optimization problems, such as those encountered in logistics and finance, can be addressed using quantum computers as well. Furthermore, the utilization of quantum computers could enable the simulation of intricate systems, such as molecules and materials, leading to significant applications in fields like Physics and Material Technology. Although quantum computers are currently in the early stages of development, they possess the potential to propel numerous areas of science and technology forward in a significant manner. Further research and development are needed to fully realize the potential of quantum computing in the field of advanced computing applications.