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The interfaces between metal electrodes and liquid electrolytes are prototypical in electrochemistry. That is why it is crucial to have a molecular and dynamical understating of such interfaces for both electrical properties and chemical…

Chemical Physics · Physics 2023-10-06 Linnéa Andersson , Chao Zhang

Phylogenetic trees are the primary framework for conveying evolutionary relationships. While many tools exist for visualizing phylogenetic trees, most are limited to static graphics, require coding expertise, or are developed for a specific…

Populations and Evolution · Quantitative Biology 2026-05-15 Zachary S. L. Foster , Jeff H. Chang , Niklaus J. Grunwald

With the maritime industry poised on the cusp of a hybrid revolution, the design and analysis of advanced vessel systems have become paramount for engineers. This paper presents AC and DC electrical hybrid power system models in ETAP, the…

Systems and Control · Electrical Eng. & Systems 2024-10-01 Matthijs Mosselaar , Zoran Malbašić , Aihui Fu , Aleksandra Lekić

We present GiRaFFE, the first open-source general relativistic force-free electrodynamics (GRFFE) code for dynamical, numerical-relativity generated spacetimes. GiRaFFE adopts the strategy pioneered by McKinney and modified by Paschalidis…

General Relativity and Quantum Cosmology · Physics 2017-10-25 Zachariah B. Etienne , Mew-Bing Wan , Maria C. Babiuc , Sean T. McWilliams , Ashok Choudhary

In this paper, we present ML-Quadrat, an open-source research prototype that is based on the Eclipse Modeling Framework (EMF) and the state of the art in the literature of Model-Driven Software Engineering (MDSE) for smart Cyber-Physical…

Software Engineering · Computer Science 2022-07-12 Armin Moin , Andrei Mituca , Moharram Challenger , Atta Badii , Stephan Günnemann

The aim of this work is to introduce a thermo-electromagnetic model for calculating the temperature and the power dissipated in cylindrical pieces whose geometry var\'ies with time and undergoes large deformations; the motion will be a…

Numerical Analysis · Mathematics 2024-03-08 Marta Benítez , Alfredo Bermúdez , Pedro Fontán , Iván Martínez , Pilar Salgado

We present Fiend - a simulation package for three-dimensional single-particle time-dependent Schr\"odinger equation for cylindrically symmetric systems. Fiend has been designed for the simulation of electron dynamics under inhomogeneus…

Computational Physics · Physics 2019-04-09 Janne Solanpää , Esa Räsänen

The quality of electricity system modelling heavily depends on the input data used. Although a lot of data is publicly available, it is often dispersed, tedious to process and partly contains errors. We argue that a central provision of…

Products codes (PCs) are conventionally decoded with efficient iterative bounded-distance decoding (iBDD) based on hard-decision channel outputs which entails a performance loss compared to a soft-decision decoder. Recently, several hybrid…

Information Theory · Computer Science 2022-11-22 Sisi Miao , Lukas Rapp , Laurent Schmalen

Computer-aided design (CAD) tools are utilized in the manufacturing industry for modeling everything from cups to spacecraft. These programs are complex to use and typically require years of training and experience to master. Structured and…

Computer Vision and Pattern Recognition · Computer Science 2024-08-27 Zhe Yuan , Jianqi Shi , Yanhong Huang

Context: Advancements in machine learning (ML) lead to a shift from the traditional view of software development, where algorithms are hard-coded by humans, to ML systems materialized through learning from data. Therefore, we need to…

Software Engineering · Computer Science 2021-06-16 Görkem Giray

In this paper, we present TLBfind, a GPU code for simulating the hydrodynamics of droplets along with a dynamic temperature field. TLBfind hinges on a two-dimensional multi-component lattice Boltzmann (LB) model simulating a concentrated…

Fluid Dynamics · Physics 2022-05-12 Francesca Pelusi , Matteo Lulli , Mauro Sbragaglia , Massimo Bernaschi

Domain-specific metadata schemas are essential to improve the findability and reusability of research software and to follow the FAIR4RS principles. However, many domains, including energy research, lack established metadata schemas. To…

Software Engineering · Computer Science 2026-01-15 Stephan Ferenz , Oliver Werth , Astrid Nieße

There is a need to accurately simulate materials with complex electromagnetic properties when modelling Ground Penetrating Radar (GPR), as many objects encountered with GPR contain water, e.g. soils, curing concrete, and water-filled pipes.…

Numerical Analysis · Mathematics 2022-08-25 Sylwia Majchrowska , Iraklis Giannakis , Craig Warren , Antonios Giannopoulos

Objective: We propose a novel approach for modelling the inter-dependence of electrical and mechanical phenomena in nervous cells, by using electro-thermal equivalences in finite element (FE) analysis so that existing thermo-mechanical…

Applied Physics · Physics 2020-09-09 Ilaria Cinelli , Michel Destrade , Maeve Duffy , Peter McHugh

The complexities of today's materials simulations demand computer codes which are both powerful and highly flexible. A researcher should be able to readily choose different geometries, different materials and different algorithms without…

Augmenting mechanistic ordinary differential equation (ODE) models with machine-learnable structures is an novel approach to create highly accurate, low-dimensional models of engineering systems incorporating both expert knowledge and…

Dynamical Systems · Mathematics 2022-06-22 Sandor Beregi , David A. W. Barton , Djamel Rezgui , Simon A. Neild

The software package DIALECT is introduced, which provides the capability of calculating excited-state properties and nonadiabatic dynamics of large molecular systems and can be applied to simulate energy and charge-transfer processes in…

Chemical Physics · Physics 2025-05-15 Richard Einsele , Xincheng Miao , Luca Nils Philipp , Roland Mitric

More often than not, there is a need to understand the structure of complex computer code: what functions and in what order they are called, how information travels around static, input, and output variables, what depends on what. As a…

Software Engineering · Computer Science 2016-10-10 Igor Polkovnikov

Computational models can provide significant insight into the operation mechanisms and deficiencies of photovoltaic solar cells. Solcore is a modular set of computational tools, written in Python 3, for the design and simulation of…

Applied Physics · Physics 2018-04-17 D. Alonso-Álvarez , T. Wilson , P. Pearce , M. Führer , D. Farrell , N. Ekins-Daukes