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The simulation of quantum circuits on classical computers is an important problem in quantum computing. Such simulation requires representations of distributions over very large sets of basis vectors, and recent work has used symbolic…
Quantum computing has made considerable progress in recent years in both software and hardware. But to unlock the power of quantum computers in solving problems that cannot be efficiently solved classically, quantum computing at scale is…
The quantum circuit model is the most widely used model of quantum computation. It provides both a framework for formulating quantum algorithms and an architecture for the physical construction of quantum computers. However, several other…
Forte is an open-source library specialized in multireference electronic structure theories for molecular systems and the rapid prototyping of new methods. This paper gives an overview of the capabilities of Forte, its software…
Simulating open quantum systems on quantum computers presents a fundamental challenge: open quantum dynamics are intrinsically nonunitary, whereas quantum computers operate through unitary evolution. Conventional approaches overcome this…
Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…
Within the last decade much progress has been made in the experimental realisation of quantum computing hardware based on a variety of physical systems. Rapid progress has been fuelled by the conviction that sufficiently powerful quantum…
Distributed quantum information processing seeks to overcome the scalability limitations of monolithic quantum devices by interconnecting multiple quantum processing nodes via classical and quantum communication. This approach extends the…
Quantum Monte Carlo (QMC) methods deliver highly accurate electronic structure calculations but are computationally intensive. The quantum Monte Carlo kernel library (QMCkl) provides a modular, portable collection of high-performance…
We present a framework for efficiently performing Monte Carlo wave-function simulations in cavity QED with moving particles. It relies heavily on the object-oriented programming paradigm as realised in C++, and is extensible and applicable…
Quantum computing's transition from theory to reality has spurred the need for novel software tools to manage the increasing complexity, sophistication, toil, and fallibility of quantum algorithm development. We present Qualtran, an…
The increasing growth of data volume, and the consequent explosion in demand for computational power, are affecting scientific computing, as shown by the rise of extreme data scientific workflows. As the need for computing power increases,…
Runko is a new open-source plasma simulation framework implemented in C++ and Python. It is designed to function as an easy-to-extend general toolbox for simulating astrophysical plasmas with different theoretical and numerical models.…
Researchers and industries are increasingly drawn to quantum computing for its computational potential. However, validating new quantum algorithms is challenging due to the limitations of current quantum devices. Software simulators are…
Quantum computing technologies promise to revolutionize calculations in many areas of physics, chemistry, and data science. Their power is expected to be especially pronounced for problems where direct analogs of a quantum system under…
Quantum nanosystems involve the coupled dynamics of fermions or bosons across multiple scales in space and time. Examples include quantum dots, superconducting or magnetic nanoparticles, molecular wires, and graphene nanoribbons. The number…
EOS is an open-source software for a variety of computational tasks in flavor physics. Its use cases include theory predictions within and beyond the Standard Model of particle physics, Bayesian inference of theory parameters from…
In this paper we carry out Quantum Monte Carlo simulations of a quantum particle in a one-dimensional random potential (plus a fixed harmonic potential) at a finite temperature. This is the simplest model of an interface in a disordered…
Superconducting quantum hardware architectures have been designed by considering the physical constraints of the underlying physics. These general-purpose architectures leave room for customization and optimization that can be exploited…
Quantum computing has emerged as a powerful potential accelerator for computational fluid dynamics (CFD), but whether this promise can be realized in practice depends on how fluid information is encoded on quantum hardware. This review…