Related papers: CellListMap.jl: Efficient and customizable cell li…
We introduce the Scheduling.jl Julia package, which is intended for collaboratively conducting scheduling research and for sharing implementations of algorithms. It provides the fundamental building blocks for implementing scheduling…
This paper introduces the TulipaProfileFitting.jl package, a tool developed in Julia for generating renewable energy profiles that fit a specified capacity factor. It addresses the limitations of naive methods in adjusting existing profiles…
The importance of computers is continually increasing in radiotherapy. Efficient algorithms, implementations and the ability to leverage advancements in computer science are crucial to improve cancer care even further and deliver the best…
The linked cell list algorithm is an essential part of molecular simulation software, both molecular dynamics and Monte Carlo. Though it scales linearly with the number of particles, there has been a constant interest in increasing its…
We present the Julia package Manifolds$.$jl, providing a fast and easy-to-use library of Riemannian manifolds and Lie groups. This package enables working with data defined on a Riemannian manifold, such as the circle, the sphere, symmetric…
This article introduces new acceleration methods for fixed-point iterations. Extrapolations are computed using two or three mappings alternately and a new type of step length is proposed with good properties for nonlinear applications. The…
We introduce ACEpotentials.jl, a Julia-language software package that constructs interatomic potentials from quantum mechanical reference data using the Atomic Cluster Expansion (Drautz, 2019). As the latter provides a complete description…
Geometric computing with chain complexes allows for the computation of the whole chain of linear spaces and (co)boundary operators generated by a space decomposition into a cell complex. The space decomposition is stored and handled with…
Particle-In-Cell codes are widely used for plasma physics simulations. It is often the case that particles within a computational cell need to be split to improve the statistics or, in the case of non-uniform meshes, to avoid the…
We present two modifications of the standard cell list algorithm for nonequilibrium molecular dynamics simulations of homogeneous, linear flows. When such a flow is modeled with periodic boundary conditions, the simulation box deforms with…
Marginal effects analysis is fundamental to interpreting statistical models, yet existing implementations face computational constraints that limit analysis at scale. We introduce two Julia packages that address this gap. Margins.jl…
We present BSeries.jl, a Julia package for the computation and manipulation of B-series, which are a versatile theoretical tool for understanding and designing discretizations of differential equations. We give a short introduction to the…
Approximating partial differential equations for extensive industrial and scientific applications requires leveraging the power of modern high-performance computing. In large-scale parallel computations, the geometrical discretisation…
Mathematical models of natural and man-made systems often have many adjustable parameters that must be estimated from multiple, potentially conflicting datasets. Rather than reporting a single best-fit parameter vector, it is often more…
Maximizing the performance potential of the modern day GPU architecture requires judicious utilization of available parallel resources. Although dramatic reductions can often be obtained through straightforward mappings, further performance…
A piecewise function of a real variable x returns a value computed from a rule that can be different in each interval of the values of x. The Julia module Piecewise provides an implementation of piecewise functions, where the user is free…
This paper demonstrates how certified computational tools can be used to address various problems in control theory. In particular, we introduce PACE.jl, a Julia package that implements symbolic elimination techniques, including (among…
Estimating parameters of Partial Differential Equations (PDEs) from noisy and indirect measurements often requires solving ill-posed inverse problems. These so called parameter estimation or inverse medium problems arise in a variety of…
A particle-in-cell algorithm is derived with a canonical Poisson structure in the formalism of finite element exterior calculus. The resulting method belongs to the class of gauge-compatible splitting algorithms, which exactly preserve…
Background: Coevolution within a protein family is often predicted using statistics that measure the degree of covariation between positions in the protein sequence. Mutual Information is a measure of dependence between two random variables…