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Quantum computation is a promising emerging technology which, compared to conventional computation, allows for substantial speed-ups e.g. for integer factorization or database search. However, since physical realizations of quantum…
Quantum mechanical problems are among the hardest to simulate and, in some cases, remain intractable even for the most powerful computers. Quantum computing has emerged as a new technological platform to address such challenges, with rapid…
Simulating quantum circuits (QC) on high-performance computing (HPC) systems has become an essential method to benchmark algorithms and probe the potential of large-scale quantum computation despite the limitations of current quantum…
Simulating quantum mechanics is known to be a difficult computational problem, especially when dealing with large systems. However, this difficulty may be overcome by using some controllable quantum system to study another less controllable…
Simulating quantum states on a classical computer is hard, typically requiring prohibitive resources in terms of memory and computational power. Efficient simulation, however, can be achieved for certain classes of quantum states, in…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
Quantum computers promise to solve several categories of problems faster than classical computers ever could. Current research mostly focuses on qubits, i.e., systems where the unit of information can assume only two levels. However, the…
The problem of quantum test is formally addressed. The presented method attempts the quantum role of classical test generation and test set reduction methods known from standard binary and analog circuits. QuFault, the authors software…
Qudit-based quantum computation offers unique advantages over qubit-based systems in terms of noise mitigation capabilities as well as algorithmic complexity improvements. However, the software ecosystem for multi-state quantum systems is…
Density matrices evolved according the von Neumann equation are commonly used to simulate the dynamics of driven quantum systems. However, computational methods using density matrices are often too slow to explore the large parameter spaces…
We introduce Qunity, a new quantum programming language designed to treat quantum computing as a natural generalization of classical computing. Qunity presents a unified syntax where familiar programming constructs can have both quantum and…
We present a graphical approach to understanding the degeneracy, density of states, and cumulative state number for some simple quantum systems. By taking advantage of basic computing operations we define a straightforward procedure for…
Molecular dynamics simulations have a prominent role in biophysics and drug discovery due to the atomistic information they provide on the structure, energetics and dynamics of biomolecules. Specialized software packages are required to…
In this introductory review, we focus on applications of quantum computation to problems of interest in physics and chemistry. We describe quantum simulation algorithms that have been developed for electronic-structure problems,…
Quantum computers promise significant speedups in solving problems intractable for conventional computers but, despite recent progress, remain limited in scaling and availability. Therefore, quantum software and hardware development heavily…
Quantum computing is a game-changing technology for global academia, research centers and industries including computational science, mathematics, finance, pharmaceutical, materials science, chemistry and cryptography. Although it has seen…
We define the model of quantum circuits with density matrices, where non-unitary gates are allowed. Measurements in the middle of the computation, noise and decoherence are implemented in a natural way in this model, which is shown to be…
In this paper, we present the Quantum Information Software Developer Kit - Qiskit, for teaching quantum computing to undergraduate students, with basic knowledge of quantum mechanics postulates. We focus on presenting the construction of…
We introduce QuESTlink, pronounced "quest link", an open-source Mathematica package which efficiently emulates quantum computers. By integrating with the Quantum Exact Simulation Toolkit (QuEST), QuESTlink offers a high-level, expressive…
Quantum computing comes with the potential to push computational boundaries in various domains including, e.g., cryptography, simulation, optimization, and machine learning. Exploiting the principles of quantum mechanics, new algorithms can…