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partycls is a Python framework for cluster analysis of systems of interacting particles. By grouping particles that share similar structural or dynamical properties, partycls enables rapid and unsupervised exploration of the system's…
A new parallel algorithm utilizing partitioned global address space (PGAS) programming model to achieve high scalability is reported for particle tracking in direct numerical simulations of turbulent flow. The work is motivated by the…
Any type of non-buoyant material in the ocean is transported horizontally by currents during its sinking journey. This lateral transport can be far from negligible for small sinking velocities. To estimate its magnitude and direction, the…
Physical reservoir computing (PRC) is a computing framework that harnesses the intrinsic dynamics of physical systems for computation. It offers a promising energy-efficient alternative to traditional von Neumann computing for certain…
Ordinary Differential Equations (ODE) are used throughout science where the capture of rates of change in states is sought. While both pieces of commercial and open software exist to study such systems, their efficient and accurate usage…
This article describes lcpy, an open-source python package that allows for advanced parametric Life Cycle Assessment (LCA) and Life Cycle Costing (LCC) analysis. The package is designed to allow the user to model a process with a flexible,…
This paper introduces the Oilfield Pollutant Graphical Model (OPGM), an innovative approach designed to improve the benchmarking and uncertainty analysis of greenhouse gas (GHG) emissions in oilfields. Building on the robust foundation…
Array-like collection data structures are widely established in Python's scientific computing-ecosystem for high-performance computations. The structure maps well to regular, gridded lattice structures that are common to computational…
Physical Reservoir Computing (PRC) leverages the intrinsic nonlinear dynamics of physical substrates, mechanical, optical, spintronic, and beyond, as fixed computational reservoirs, offering a compelling paradigm for energy-efficient and…
Data processing pipelines represent an important slice of the astronomical software library that include chains of processes that transform raw data into valuable information via data reduction and analysis. In this work we present Corral,…
ParticLS (\emph{Partic}le \emph{L}evel \emph{S}ets) is a software library that implements the discrete element method (DEM) and meshfree methods. ParticLS tracks the interaction between individual particles whose geometries are defined by…
We describe the user interface, governing equations, and numerical methods underpinning the community ocean modeling software called "Oceananigans". Oceananigans development has been lead by the Climate Modeling Alliance to build a…
High-level programming languages such as Python are increasingly used to provide intuitive interfaces to libraries written in lower-level languages and for assembling applications from various components. This migration towards…
In contrast to static formalisms, computational definitions describe the operational mechanisms of a model. Simulations are an essential part of the cycle of theory development and refinement, assisting researchers in formulating the…
The simulation and parameter optimization of coupled ocean circulation and ecosystem models in three space dimensions is one of the most challenging tasks in numerical climate research. Here we present a scientific toolkit that aims at…
Large-scale modelling of three-dimensional controlled-source electromagnetic (CSEM) surveys used to be feasible only for large companies and research consortia. This has changed over the last few years, and today there exists a selection of…
The computation of Lagrangian coherent structures (LCS) has become a standard tool for the analysis of advective transport in unsteady flow applications. LCS identification is primarily accomplished by evaluating measures based on the…
Lagrangian averaging is a valuable tool for the analysis and modelling of multiscale processes in fluid dynamics. The numerical computation of Lagrangian (time) averages from simulation data is challenging, however. It can be carried out by…
There is growing interest in graph pattern mining (GPM) problems such as motif counting. GPM systems have been developed to provide unified interfaces for programming algorithms for these problems and for running them on parallel systems.…
L-QLES is an open source python code for generating 1D, 2D and 3D Laplacian operators and associated Poisson equations and their classical solutions. Its goal is to provide quantum algorithm developers with a flexible test case framework…