Related papers: Quantum ESPRESSO: a modular and open-source softwa…
Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…
Quantum computing has demonstrated the potential to solve computationally intensive problems more efficiently than classical methods. Many software engineering tasks, such as test case selection, static analysis, code clone detection, and…
Quantum computing, an innovative computing system carrying prominent processing rate, is meant to be the solutions to problems in many fields. Among these realms, the most intuitive application is to help chemical researchers correctly…
Quantum computing (QC) is no longer only a scientific interest but is rapidly becoming an industrially available technology that can potentially tackle the limitations of classical computing. Over the last few years, major technology giants…
Quantum software plays a critical role in exploiting the full potential of quantum computing systems. As a result, it has been drawing increasing attention recently. This paper defines the term "quantum software engineering" and introduces…
We introduce MindSpore Quantum, a pioneering hybrid quantum-classical framework with a primary focus on the design and implementation of noisy intermediate-scale quantum (NISQ) algorithms. Leveraging the robust support of MindSpore, an…
Quantum computing is rapidly emerging as a promising technology for solving complex optimization problems that arise in various engineering fields. Therefore, it holds significant promise to transform the computational foundations of power…
Kwant is a Python package for numerical quantum transport calculations. It aims to be an user-friendly, universal, and high-performance toolbox for the simulation of physical systems of any dimensionality and geometry that can be described…
Quantum technologies such as communications, computing, and sensing offer vast opportunities for advanced research and development. While an open-source ethos currently exists within some quantum technologies, especially in quantum computer…
The rapid advancements in quantum computing necessitate a scientific and rigorous approach to the construction of a corresponding software ecosystem, a topic underexplored and primed for systematic investigation. This chapter takes an…
Open source software is becoming crucial in the design and testing of quantum algorithms. Many of the tools are backed by major commercial vendors with the goal to make it easier to develop quantum software: this mirrors how well-funded…
Quantum engineering seeks to exploit quantum information to build, among others, computing, cybersecurity, and metrology technologies. Quantum Software Engineering (QSE) focuses on the information processing side of these technologies.…
Quantum simulators are a promising technology on the spectrum of quantum devices from specialized quantum experiments to universal quantum computers. These quantum devices utilize entanglement and many-particle behaviors to explore and…
Quantum computing is increasingly practiced through programming, yet most educational offerings emphasize algorithmic or framework-level use rather than software engineering concerns such as testing, abstraction, tooling, and lifecycle…
A software product line models the variability of highly configurable systems. Complete exploration of all valid configurations (the configuration space) is infeasible as it grows exponentially with the number of features in the worst case.…
Engineering design processes involve iterative design evaluations requiring numerous computationally intensive numerical simulations. Quantum algorithms promise substantial speedups for specific tasks relevant to engineering simulations.…
We present the design of a flexible quantum-chemical method development framework, which supports employing any type of basis function. This design has been implemented in the light-weight program package molsturm, yielding a…
We present a composable design scheme for the development of hybrid quantum/classical algorithms and workflows for applications of quantum simulation. Our object-oriented approach is based on constructing an expressive set of common data…
We present Benchpress, a benchmarking suite for evaluating the performance and range of functionality of multiple quantum computing software development kits. This suite consists of a collection of over $1000$ tests measuring key…
Designing molecules with optimized properties remains a fundamental challenge due to the intricate relationship between molecular structure and properties. Traditional computational approaches that address the combinatorial number of…