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We introduce QCLAB, an object-oriented MATLAB toolbox for constructing, representing, and simulating quantum circuits. Designed with an emphasis on numerical stability, efficiency, and performance, QCLAB provides a reliable platform for…

The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery)…

This study introduces a novel software tool leveraging large language model (LLM) prompts, designed to automate the generation of academic articles from Python code a significant advancement in the fields of biomedical informatics and…

We introduce cppdlr, a C++ library implementing the discrete Lehmann representation (DLR) of functions in imaginary time and Matsubara frequency, such as Green's functions and self-energies. The DLR is based on a low-rank approximation of…

In this paper we present DYNAMIC, an open-source C++ library implementing dynamic compressed data structures for string manipulation. Our framework includes useful tools such as searchable partial sums, succinct/gap-encoded bitvectors, and…

The purpose of this paper is to introduce Condensed-Matter-Laboratory (CML) application for simulating solids and nanostructures and calculating different properties of them by density functional theory and using Green's function theory in…

Measuring plagiarism in programming assignments is an essential task to the educational procedure. This paper discusses the methods of plagiarism and its detection in introductory programming course assignments written in C++. A small…

This article introduces 'cpp11armadillo', a new R package that integrates the powerful Armadillo C++ library for linear algebra into the R programming environment. Targeted primarily at social scientists and other non-programmers, this…

We describe BayesMix, a C++ library for MCMC posterior simulation for general Bayesian mixture models. The goal of BayesMix is to provide a self-contained ecosystem to perform inference for mixture models to computer scientists,…

Verification of software systems is a very hard problem due to the large size of program state-space. The traditional techniques (like model checking) do not scale; since they include the whole state-space by inlining the library function…

Radionuclide identification is a radioanalytical method employed in various scientific disciplines that utilize alpha-particle or gamma-ray spectrometric assays, ranging from astrophysics to nuclear medicine. Radionuclide libraries in…

Deep learning has been shown to be a promising tool in detecting software vulnerabilities. In this work, we train neural networks with program slices extracted from the source code of C/C++ programs to detect software vulnerabilities. The…

RooFit is a library of C++ classes that facilitate data modeling in the ROOT environment. Mathematical concepts such as variables, (probability density) functions and integrals are represented as C++ objects. The package provides a flexible…

Computational materials science increasingly benefits from data management, automation, and algorithm-based decision-making for the simulation of material properties and behavior. Experimental materials science also changes rapidly by…

There is a large body of legacy scientific code written in languages like Fortran that is not optimised to get the best performance out of heterogeneous acceleration devices like GPUs and FPGAs, and manually porting such code into parallel…

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…

We present a complete set of Fortran 90 modules that can be used to write very compact, efficient, and high level QCD programs. The modules define fields (gauge, fermi, generators, complex, and real fields) as abstract data types, together…

Large Language Models (LLM) have become sophisticated enough that complex computer programs can be created through interpretation of plain English sentences and implemented in a variety of modern languages such as Python, Java Script, C++…

An introductory formal languages course exposes advanced undergraduate and early graduate students to automata theory, grammars, constructive proofs, computability, and decidability. Programming students find these topics to be challenging…

Template metaprogramming is a popular technique for implementing compile time mechanisms for numerical computing. We demonstrate how expression templates can be used for compile time symbolic differentiation of algebraic expressions in C++…