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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.…

Software bugs typically result from errors in specifications or code translation. While classical software engineering has evolved with various tools and methodologies to tackle such bugs, the emergence of quantum computing presents unique…

Software Engineering · Computer Science 2025-10-01 Mushahid Khan , Prashant J. Nair , Olivia Di Matteo

Artificial intelligence (AI) techniques are widely applied in the life sciences. However, applying innovative AI techniques to understand and deconvolute biological complexity is hindered by the learning curve for life science scientists to…

Artificial Intelligence · Computer Science 2024-03-28 Nisha Pillai , Athish Ram Das , Moses Ayoola , Ganga Gireesan , Bindu Nanduri , Mahalingam Ramkumar

This paper presents a distributed platform for Natural Language Processing called PyPLN. PyPLN leverages a vast array of NLP and text processing open source tools, managing the distribution of the workload on a variety of configurations:…

Computation and Language · Computer Science 2013-02-20 Flávio Codeço Coelho , Renato Rocha Souza , Álvaro Justen , Flávio Amieiro , Heliana Mello

Quantum optimal control includes the family of pulse-shaping algorithms that aim to unlock the full potential of a variety of quantum technologies. Our Quantum Optimal Control Suite (QuOCS) unites experimental focus and model-based…

Automatic differentiation (AD) is an essential primitive for machine learning programming systems. Tangent is a new library that performs AD using source code transformation (SCT) in Python. It takes numeric functions written in a syntactic…

Mathematical Software · Computer Science 2017-11-09 Bart van Merriënboer , Alexander B. Wiltschko , Dan Moldovan

Automated debugging, long pursued in a variety of fields from software engineering to cybersecurity, requires a framework that offers the building blocks for a programmable debugging workflow. However, existing debuggers are primarily…

Software Engineering · Computer Science 2025-06-06 Gabriele Digregorio , Roberto Alessandro Bertolini , Francesco Panebianco , Mario Polino

We present a basic high-level structures used for developing quantum programming languages. The presented structures are commonly used in many existing quantum programming languages and we use quantum pseudo-code based on QCL quantum…

Programming Languages · Computer Science 2011-10-10 P. Gawron , J. Klamka , J. A. Miszczak , R. Winiarczyk

We present Paicos, a new object-oriented Python package for analyzing simulations performed with Arepo. Paicos strives to reduce the learning curve for students and researchers getting started with Arepo simulations. As such, Paicos…

Instrumentation and Methods for Astrophysics · Physics 2024-04-24 Thomas Berlok , Léna Jlassi , Ewald Puchwein , Troels Haugbølle

We introduce \textsc{qcmath}, a user-friendly quantum chemistry software tailored for electronic structure calculations, implemented using the Wolfram Mathematica language and available at \url{https://github.com/LCPQ/qcmath}. This…

Chemical Physics · Physics 2023-09-01 Enzo Monino , Antoine Marie , Pierre-François Loos

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…

Quantum Physics · Physics 2024-01-22 Stanley Miao , Ola Tangen Kulseng , Alexander Stasik , Franz G. Fuchs

qcombo is a Python package for the symbolic evaluation of commutators between general quantum many-body operators expressed in normal-ordered form using the generalized Wick theorem. The package provides an automated and systematic…

Nuclear Theory · Physics 2026-03-26 L. H. Chen , Y. Li , H. Hergert , J. M. Yao

Despite the de-facto technological uniformity fostered by the cloud and edge computing paradigms, resource fragmentation across isolated clusters hinders the dynamism in application placement, leading to suboptimal performance and…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-26 Marco Iorio , Fulvio Risso , Alex Palesandro , Leonardo Camiciotti , Antonio Manzalini

We describe pynucastro 2.0, an open source library for interactively creating and exploring astrophysical nuclear reaction networks. We demonstrate new methods for approximating rates and using detailed balance to create reverse rates, show…

Instrumentation and Methods for Astrophysics · Physics 2022-10-19 Alexander Smith Clark , Eric T. Johnson , Zhi Chen , Kiran Eiden , Donald E. Willcox , Brendan Boyd , Lyra Cao , Christopher J. DeGrendele , Michael Zingale

The article presents the torchosr package - a Python package compatible with PyTorch library - offering tools and methods dedicated to Open Set Recognition in Deep Neural Networks. The package offers two state-of-the-art methods in the…

Machine Learning · Computer Science 2024-02-12 Joanna Komorniczak , Pawel Ksieniewicz

We introduce TACO, an open-source, large-scale code generation dataset, with a focus on the optics of algorithms, designed to provide a more challenging training dataset and evaluation benchmark in the field of code generation models. TACO…

Artificial Intelligence · Computer Science 2023-12-29 Rongao Li , Jie Fu , Bo-Wen Zhang , Tao Huang , Zhihong Sun , Chen Lyu , Guang Liu , Zhi Jin , Ge Li

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…

Chemical Physics · Physics 2018-11-15 Michael F. Herbst , Andreas Dreuw , James Emil Avery

We present a language extension for parallel quantum programming to (1) remove ambiguities concerning parallelism in current quantum programming languages and (2) facilitate space-time tradeoff investigations in quantum computing. While the…

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…

Mesoscale and Nanoscale Physics · Physics 2015-10-12 Christoph W. Groth , Michael Wimmer , Anton R. Akhmerov , Xavier Waintal

An open-source, Python-based Temporal Analysis of Products (TAP) reactor simulation and processing program is introduced. TAPsolver utilizes algorithmic differentiation for the calculation of highly accurate derivatives, which are used to…

Computational Engineering, Finance, and Science · Computer Science 2020-09-01 Adam Yonge , M. Ross Kunz , Rakesh Batchu , Zongtang Fang , Tobin Issac , Rebecca Fushimi , Andrew J. Medford