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Quantum computers promise to efficiently solve important problems classical computers never will. However, in order to capitalize on these prospects, a fully automated quantum software stack needs to be developed. This involves a multitude…
QuaRT is a Python library for quantum simulation of radiative transfer in astrophysical and cosmological problems. It features a novel angular redistribution methodology for lattice Boltzmann methods which improves the isotropy of…
Quantum++ is a modern general-purpose multi-threaded quantum computing library written in C++11 and composed solely of header files. The library is not restricted to qubit systems or specific quantum information processing tasks, being…
Quantum computing is fast evolving as a technology due to recent advances in hardware, software, as well as the development of promising applications. To use this technology for solving specific problems, a suitable quantum algorithm has to…
Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…
The subject of this work is quantum predicative programming -- the study of developing of programs intended for execution on a quantum computer. We look at programming in the context of formal methods of program development, or programming…
QuaPy is an open-source framework for performing quantification (a.k.a. supervised prevalence estimation), written in Python. Quantification is the task of training quantifiers via supervised learning, where a quantifier is a predictor that…
Quantum reservoir computing is a promising paradigm for processing temporal data. So far, the primary focus has been on univariate time series. However, the most relevant and complex real-world data is multidimensional. In this paper, we…
This article summarizes recent updates to the p$^\dagger$q package, which is a C++ accelerated Python library for generating equations and computer code corresponding to singly-reference many-body quantum chemistry methods such as…
Spectral line observations are an indispensable tool to remotely probe the physical and chemical conditions throughout the universe. Modelling their behaviour is a computational challenge that requires dedicated software. In this paper, we…
The concurrent rise of artificial intelligence and quantum information poses opportunity for creating interdisciplinary technologies like quantum neural networks. Quantum reservoir processing, introduced here, is a platform for quantum…
We develop a framework which aims to simplify the analysis of quantum states and quantum operations by harnessing the potential of function programming paradigm. We show that the introduced framework allows a seamless manipulation of…
Computing accurate yet efficient approximations to the solutions of the electronic Schr\"odinger equation has been a paramount challenge of computational chemistry for decades. Quantum Monte Carlo methods are a promising avenue of…
Quantum systems have an exponentially large degree of freedom in the number of particles and hence provide a rich dynamics that could not be simulated on conventional computers. Quantum reservoir computing is an approach to use such a…
Quantum computing exploits quantum phenomena such as superposition and entanglement to realize a form of parallelism that is not available to traditional computing. It offers the potential of significant computational speed-ups in quantum…
BlackJAX is a library implementing sampling and variational inference algorithms commonly used in Bayesian computation. It is designed for ease of use, speed, and modularity by taking a functional approach to the algorithms' implementation.…
In recent times, quantum reservoir computing has emerged as a potential resource for time series prediction. Hence, there is a need for a flexible framework to test quantum circuits as nonlinear dynamical systems. We have developed a…
We introduce OpenQAOA, a Python open-source multi-backend Software Development Kit to create, customise, and execute the Quantum Approximate Optimisation Algorithm (QAOA) on Noisy Intermediate-Scale Quantum (NISQ) devices and simulators.…
Numerical investigations are an important research tool in quantum information theory. There already exists a wide range of computational tools for quantum information theory implemented in various programming languages. However, there is…
For the calculation of complex neutral/ionized gas phase chemical equilibria, we present a semi-analytical versatile and efficient computer program, called FastChem. The applied method is based on the solution of a system of coupled…