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Phase field models for two-phase flow with a surfactant soluble in possibly both fluids are derived from balance equations and an energy inequality so that thermodynamic consistency is guaranteed. Via a formal asymptotic analysis, they are…
We present the Julia package HomotopyContinuation.jl, which provides an algorithmic framework for solving polynomial systems by numerical homotopy continuation. We introduce the basic capabilities of the package and demonstrate the software…
The Jaya R package offers a robust and versatile implementation of the parameter-free Jaya optimization algorithm, suitable for solving both single-objective and multi-objective optimization problems. By integrating advanced features such…
This article presents a modeling framework for a class of multiphase chemical systems based on non-equilibrium thermodynamics. Compartmental modeling is used to establish the dynamic properties of liquid-vapor systems operating far from…
The supercomputing platforms available for high performance computing based research evolve at a great rate. However, this rapid development of novel technologies requires constant adaptations and optimizations of the existing codes for…
Microstructure.jl is a Julia package designed for probabilistic estimation of tissue microstructural parameters from diffusion or combined diffusion-relaxometry MRI data. It provides a flexible and extensible framework for defining…
Despite the fact that computational fluid dynamics (CFD) software is now (relatively) fast and freely available, it is still amazingly difficult to use. Inaccessible software imposes a significant entry barrier on students and junior…
We present FrankWolfe.jl, an open-source implementation of several popular Frank-Wolfe and Conditional Gradients variants for first-order constrained optimization. The package is designed with flexibility and high-performance in mind,…
This article describes the FFTJet software package designed to perform jet reconstruction in the analysis of high energy physics experimental data. A two-stage approach is adopted in which pattern recognition is performed first, utilizing…
A new open source tool for fluid simulation of multi-component plasmas is presented, based on a flexible software design that is applicable to scientific simulations in a wide range of fields. This design enables the same code to be…
We present MIDGARD, an open-source simulation platform for autonomous robot navigation in outdoor unstructured environments. MIDGARD is designed to enable the training of autonomous agents (e.g., unmanned ground vehicles) in photorealistic…
This report details an approach to improve the accuracy and precision of free energy difference estimates using thermodynamic integration data (slope of the free energy with respect to the switching variable lambda) and its application to…
Building a representative model of a complex system remains a highly challenging problem. While by now there is basic understanding of most physical domains, model design is often hindered by lack of detail, for example concerning model…
Hybrid systems are characterized by the hybrid evolution of their state: A part of the state changes discretely, the other part changes continuously over time. Typically, modern control applications belong to this class of systems, where a…
We present Polfed$.$jl, an open-source Julia package implementing the Polynomially Filtered Exact Diagonalization (POLFED) algorithm for computing mid-spectrum eigenvalues and eigenvectors (shortly, eigenpairs) of quantum many-body…
Agent based modelling is a computational approach that aims to understand the behaviour of complex systems through simplified interactions of programmable objects in computer memory called agents. Agent based models (ABMs) are predominantly…
We introduce Atomistic learned potentials in JAX (apax), a flexible and efficient open source software package for training and inference of machine-learned interatomic potentials. Built on the JAX framework, apax supports GPU acceleration…
Complex colloidal fluids, such as emulsions stabilized by complex shaped particles, play an important role in many industrial applications. However, understanding their physics requires a study at sufficiently large length scales while…
The pseudopotential and free energy models are two popular extensions of the lattice Boltzmann method for multiphase flows. Until now, they have been developed apart from each other in the literature. However, important questions about…
JuMP is an open-source modeling language that allows users to express a wide range of optimization problems (linear, mixed-integer, quadratic, conic-quadratic, semidefinite, and nonlinear) in a high-level, algebraic syntax. JuMP takes…