Quantum computing promises to provide the next step up in computational power for diverse application areas. In this review, we examine the science behind the quantum hype, and the breakthroughs required to achieve true quantum advantage in real world applications. Areas that are likely to have the greatest impact on high performance computing (HPC) include simulation of quantum systems, optimization, and machine learning. We draw our examples from electronic structure calculations and computational fluid dynamics which account for a large fraction of current scientific and engineering use of HPC. Potential challenges include encoding and decoding classical data for quantum devices, and mismatched clock speeds between classical and quantum processors. Even a modest quantum enhancement to current classical techniques would have far-reaching impacts in areas such as weather forecasting, aerospace engineering, and the design of 'green' materials for sustainable development. This requires significant effort from the computational science, engineering and quantum computing communities working together.
Quantum computing promises to provide the next step up in computational power for diverse application areas. In this review, we examine the science behind the quantum hype, and the breakthroughs required to achieve true quantum advantage in real world applications. Areas that are likely to have the greatest impact on high performance computing (HPC) include simulation of quantum systems, optimization, and machine learning. We draw our examples from electronic structure calculations and computational fluid dynamics which account for a large fraction of current scientific and engineering use of HPC. Potential challenges include encoding and decoding classical data for quantum devices, and mismatched clock speeds between classical and quantum processors. Even a modest quantum enhancement to current classical techniques would have far-reaching impacts in areas such as weather forecasting, aerospace engineering, and the design of 'green' materials for sustainable development. This requires significant effort from the computational science, engineering and quantum computing communities working together.
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.
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.
High-performance computing (HPC) refers to the use of advanced computational models and technologies to significantly enhance the performance of processing highly complex problems. HPC has evolved dramatically since the first supercomputer was commissioned in the 1960s. Nowadays, HPC is characterized by the pursuit of exascale computing, i.e., the ability to perform 1018 calculations per second. In November 2024, Lawrence Livermore National Laboratory, California announced the new El Capitan System as the most powerful exascale supercomputer, capable of performing over 1.742 exaFlops. Over the past few years, HPC platforms have evolved from CPU-centric architecture to GPU-accelerated systems. Such computing capability empowers researchers to tackle a diverse array of scientific applications across numerous domains, including stock market prediction, task scheduling, weather forecasting, gene sequencing, drug discovery, and Computational Fluid Dynamics (CFD) (Netto et al., 2018; Jamshed, 2015). CFD is an applied science field that is concerned with the simulation and analysis of the physics of fluid flow using computational models and technologies. CFD finds extensive applications in diverse industries and scientific disciplines, including aircraft design optimization to facilitate the analysis of aerodynamic performance, drag reduction, and fuel efficiency enhancement (Moin and Apte, 2006). In addition, CFD plays a crucial role in oil reservoir simulation and recovery (Britto et al. 2020). Overall, CFD serves as a powerful tool for understanding and predicting fluid flow phenomena, enabling engineers and scientists to make informed decisions, optimize designs, and improve the performance of various systems and processes. Recently, Quantum Computing has emerged as a new computing approach that leverages quantum physics phenomena such as superposition and entanglement to provide computational speedup over classical computers. With the rapid progress of quantum computing, it is projected that future HPC platforms are venturing into Quantum Processing Unit (QPU)-based systems to tackle previously unsolvable problems. Several researchers have studied the potential use of quantum computing in solving complex CFD problems (Gaitan, 2020; Jaksch et al. 2023). Quantum computing can offer several advantages in CFD applications. First, quantum computing can address the exponential growth of computational complexity associated with high-resolution and turbulent flow simulations. Accordingly, more accurate and detailed simulations can be performed. For example, Berry et al. (2014) presented quantum algorithms that can effectively handle large-scale linear algebraic calculations, such as solving sparse matrix equations and eigenvalue problems, which are fundamental in CFD. Furthermore, quantum computers have the potential to accelerate optimization algorithms that facilitate faster design and optimization of fluid systems (Preskill, 2018). While quantum computing is still in its nascent stage, ongoing research in quantum hardware and algorithms demonstrates huge potential for future applications in solving complex CFD problems.
Quantum computing systems are developing rapidly as powerful solvers for a variety of real-world calculations. Traditionally, many of these same applications are solved using conventional high-performance computing (HPC) systems, which have progressed sharply through decades of hardware and software improvements. Here, we present a perspective on the motivations and challenges of pairing quantum computing systems with modern HPC infrastructure. We outline considerations and requirements for the use cases, macroarchitecture, microarchitecture, and programming models needed to integrate near-term quantum computers with HPC system, and we conclude with the expectation that such efforts are well within reach of current technology.
Quantum computing technologies have become a hot topic in academia and industry receiving much attention and financial support from all sides. Building a quantum computer that can be used practically is in itself an outstanding challenge that has become the ‘new race to the moon’. Next to researchers and vendors of future computing technologies, national authorities are showing strong interest in maturing this technology due to its known potential to break many of today’s encryption techniques, which would have significant and potentially disruptive impact on our society. It is, however, quite likely that quantum computing has beneficial impact on many computational disciplines. In this article we describe our vision of future developments in scientific computing that would be enabled by the advent of software-programmable quantum computers. We thereby assume that quantum computers will form part of a hybrid accelerated computing platform like GPUs and co-processor cards do today. In particular, we address the potential of quantum algorithms to bring major breakthroughs in applied mathematics and its applications. Finally, we give several examples that demonstrate the possible impact of quantum-accelerated scientific computing on society.
Recent advances in Quantum Machine Learning (QML) bring together Quantum Computing and Machine Learning with the aim of enhancing the advantages of Machine Learning to solve problems efficiently. The properties of quantum systems (superposition, entanglement, etc.) to represent multiple states of information at once, QML can potentially offer significant advantages when solving complex high-dimensional (multidimensional) computational problems. This paper reviews the current state-of-art regarding QML in general through an organized compilation and assessment of selected studies recently published in scientific literature that were found via large electronic library catalogs based on peer-reviewed sources according to algorithms used, optimization approaches employed, and areas of applied study. This review provides comparative analyses of each selected studies for purposes of identifying major trends in QML research/practice as well as opportunities for methodological improvements and challenges still existing within QML. Finally, this review presents an overview of Quantum Computing and Quantum Data Encoding Principles utilized to translate Classical Data into Quantum States as a high-level evaluation of several popular Quantum Learning Algorithms (e.g., Quantum Neural Networks, Quantum Support Machines, and Variational Quantum Circuit). The survey describes the optimization strategies such as gradient based techniques, Bayesian Optimization and evolutionary techniques being used to improve the stability of the quantum machine learning (QML) training process. Then, it provides examples of application areas for such QML, where healthcare analytics, environmental modelling, manufacturing optimization and analysis of biologic data are included. The comparative review of the recent academic research has identified several limitations and challenges regarding the use of QML that researchers. Although QML is believed to be capable of solving complex computational problems, issues such as noise in hardware, limited numbers of qubits and scalability present significant challenges for researchers working with this type of machine learning application. Overall, it appears that this survey provides a broad overview of contemporary developments and future trends for developing high-performance quantum learning systems.