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Preparing problems for execution on quantum computers can require many compilation steps. Automated compilation software is useful not only for easier and faster problem execution, but also for facilitating the comparison between different…

Quantum Physics · Physics 2022-05-23 Nicolas PD Sawaya

Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…

Quantum Physics · Physics 2023-08-29 Yunya Liu , Jiakun Liu , Jordan R. Raney , Pai Wang

When writing high-performance code for numerical computation in a scripting language like MATLAB, it is crucial to have the operations in a large for-loop vectorized. If not, the code becomes too slow to use, even for a moderately large…

Mathematical Software · Computer Science 2024-04-26 Alexej Moskovka , Talal Rahman , Jan Valdman , Jon Eivind Vatne

As inelastic structures are ubiquitous in many engineering fields, a central task in computational mechanics is to develop accurate, robust and efficient tools for their analysis. Motivated by the poor performances exhibited by standard…

Numerical Analysis · Mathematics 2018-09-21 Nicola A. Nodargi

We present a user-friendly software for photonic analog quantum computing with an installable MATLAB package and the graphical user interface (GUI) that allows for convenient operation without requiring programming skills. Arbitrary…

Quantum Physics · Physics 2018-10-05 Hao Tang , Yan-Yan Zhu , Jun Gao , Marcus Lee , Peng-Cheng Lai , Xian-Min Jin

We present a novel, generalised formulation to treat coupled structural integrity problems by combining phase field and multi-physics modelling. The approach exploits the versatility of the heat transfer equation and is therefore well…

Computational Engineering, Finance, and Science · Computer Science 2025-06-27 Y. Navidtehrani , C. Betegón , E. Martínez-Pañeda

The $\ell$FEM MATLAB package provides a simple, efficient, and flexible implementation of isoparametric finite elements in bulk domains and on surfaces. The finite element matrix assemblies are based on MATLAB's paged operators and…

Numerical Analysis · Mathematics 2026-05-15 Balázs Kovács , Michael Lantelme

MatNexus is a specialized software for the automated collection, processing, and analysis of text from scientific articles. Through an integrated suite of modules, the MatNexus facilitates the retrieval of scientific articles, processes…

Materials Science · Physics 2024-03-21 Lei Zhang , Markus Stricker

ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It mainly features density functional theory (DFT) and…

Integrating experimental data into simulations is crucial for predicting material behaviour, especially in fracture mechanics. Digital Image Correlation (DIC) provides precise displacement measurements, essential for evaluating strain…

Computational Engineering, Finance, and Science · Computer Science 2025-06-17 Abdalrhaman Koko , T. James Marrow

We investigate the numerical implementation of functionally graded properties in the context of the finite element method. The macroscopic variation of elastic properties inherent to functionally graded materials (FGMs) is introduced at the…

Computational Physics · Physics 2019-01-18 Emilio Martínez-Pañeda

This paper explores the use of optimization to design multifunctional metamaterials, and proposes a methodology for constructing a design envelope of potential properties. A thermal-mechanical metamaterial, proposed by Ai and Gao (2017), is…

Computational Engineering, Finance, and Science · Computer Science 2020-04-29 Ewan Fong , Sadik L. Omairey , Peter D. Dunning

Adaptive meshing includes local refinement as well as coarsening of meshes. Typically, coarsening algorithms are based on an explicit refinement history. In this work, we deal with local coarsening algorithms that build on the refinement…

Numerical Analysis · Mathematics 2020-11-06 Stefan A. Funken , Anja Schmidt

Immersed finite element methods provide a convenient analysis framework for problems involving geometrically complex domains, such as those found in topology optimization and microstructures for engineered materials. However, their…

Numerical Analysis · Mathematics 2025-01-30 Nils Wunsch , Keenan Doble , Mathias R. Schmidt , Lise Noël , John A. Evans , Kurt Maute

AlphaFold2 (AF2) has emerged in recent years as a groundbreaking innovation that has revolutionized several scientific fields, in particular structural biology, drug design and the elucidation of disease mechanisms. Many scientists now use…

Biomolecules · Quantitative Biology 2024-07-23 Ragousandirane Radjasandirane , Alexandre G. de Brevern

The `equation-free toolbox' empowers the computer-assisted analysis of complex, multiscale systems. Its aim is to enable you to immediately use microscopic simulators to perform macro-scale system level tasks and analysis, because…

Mathematical Software · Computer Science 2020-04-08 John Maclean , J. E. Bunder , A. J. Roberts

The main goal of the Artap project is to provide an extensive infrastructure for robust design optimization, where usually many different numerical solvers have to be used together and the impact of the manufacturing uncertainties have to…

Optimization and Control · Mathematics 2020-01-08 David Pánek , Tamás Orosz , Pavel Karban

The Finite Element Method (FEM) is a powerful computational tool for solving partial differential equations (PDEs). Although commercial and open-source FEM software packages are widely available, an independent implementation of FEM…

Numerical Analysis · Mathematics 2025-02-06 Victor Dominguez , Alejandro Duque

Modeling of physical systems includes extensive use of software packages that implement the accurate finite element method for solving differential equations considered along with the appropriate initial and boundary conditions. When the…

Computational Engineering, Finance, and Science · Computer Science 2018-03-20 O. Kononenko , I. Kononenko

We present the Matlab toolbox MacaulayLab, which implements numerical linear algebra algorithms for solving multivariate polynomial systems and rectangular multiparameter eigenvalue problems. Its structure and functionality are the result…

Mathematical Software · Computer Science 2026-05-21 Christof Vermeersch , Bart De Moor