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A novel method, the Gaussian Integral Method (GIM), is presented for calculating void fractions in Computational Fluid Dynamics-Discrete Element Method (CFD-DEM) simulations. GIM is versatile and applicable to various grid types, including…

The program package GoSam is presented which aims at the automated calculation of one-loop amplitudes for multi-particle processes. The amplitudes are generated in terms of Feynman diagrams and can be reduced using either D-dimensional…

CP2K is a versatile open-source software package for simulations across a wide range of atomistic systems, from isolated molecules in the gas phase to low-dimensional functional materials and interfaces, as well as highly symmetric…

Solving partial differential equations (PDEs) can be prohibitively expensive using traditional numerical methods. Deep learning-based surrogate models typically specialize in a single PDE with fixed parameters. We present a framework for…

Although energy system optimisation based on linear optimisation is often used for influential energy outlooks and studies for political decision-makers, the underlying background still needs to be described in the scientific literature in…

All-atom simulations can provide molecular-level insights into the dynamics of gas-phase, condensed-phase and surface processes. One important requirement is a sufficiently realistic and detailed description of the underlying intermolecular…

Presenting systems of differential equations in the form of diagrams has become common in certain parts of physics, especially electromagnetism and computational physics. In this work, we aim to put such use of diagrams on a firm…

Increasing complexity in the power system and the transformation towards a smart grid lead to the necessity of new tools and methods for the development and testing of new technologies. One testing method is co-simulation, which allows…

We present a package to perform partial fraction decompositions of multivariate rational functions. The algorithm allows to systematically avoid spurious denominator factors and is capable of producing unique results also when being applied…

This overview is devoted to splitting methods, a class of numerical integrators intended for differential equations that can be subdivided into different problems easier to solve than the original system. Closely connected with this class…

A sailing simulator has been developed from a new point of view. It will rather be for the sailor to use it than for the architect. One boat which characteristics were already known has been chosen. The whole coupled mechanic equations…

A powerful method for solving non-linear first-order ordinary differential equations, which is based on geometrical understanding of the corresponding dynamics of the so called Lie systems, is developed. This method allows us not only to…

Due to significant manufacturing process variations, the performance of integrated circuits (ICs) has become increasingly uncertain. Such uncertainties must be carefully quantified with efficient stochastic circuit simulators. This paper…

This paper presents catsim, the first package written in the Python language specialized in computerized adaptive tests and the logistical models of Item Response Theory. catsim provides functions for generating item and examinee…

The Empirical Interpolation Method (EIM) and its generalized version (GEIM) can be used to approximate a physical system by combining data measured from the system itself and a reduced model representing the underlying physics. In presence…

In engineering, it is a common desire to couple existing simulation tools together into one big system by passing information from subsystems as parameters into the subsystems under influence. As executed at fixed time points, this data…

We introduce the MathGR package, written in Mathematica. The package can manipulate tensor and GR calculations with either abstract or explicit indices, simplify tensors with permutational symmetries, decompose tensors from abstract indices…

Simulation frameworks are important tools for the analysis and design of communication networks and protocols, but they can result extremely costly and/or complex (for the case of very specialized tools), or too naive and lacking proper…

In this paper, we present a novel research software, called PEGASE, suitable for the design, validation and deployment of advanced control strategies for complex multi-domain energy systems. PEGASE especially features a highly efficient…

The quest for analytical solutions to differential equations has traditionally been constrained by the need for extensive mathematical expertise. Machine learning methods like genetic algorithms have shown promise in this domain, but are…