Related papers: Magnetic-field modeling with surface currents: Imp…
Surface currents provide a general way to model static magnetic fields in source-free volumes. To facilitate the use of surface currents in magneto-quasistatic problems, we have implemented a set of computational tools in a Python package…
Direct pore scale simulations of two-fluid flow on digital rock images provide a promising tool to understand the role of surface wetting phenomena on flow and transport in geologic reservoirs. We present computational protocols that mimic…
The Python package pylimer-tools is a comprehensive toolkit for computational studies of polymer networks, particularly bead-spring networks. The package provides functionality to generate polymer networks using Monte Carlo (MC) procedures…
Simulating direct current resistivity, frequency domain electromagnetics and time domain electromagnetics in settings where steel cased boreholes are present is of interest across a range of applications including well-logging, monitoring…
We present a Python code for calculating and displaying magnetic field extrapolations from given two-dimensional boundary conditions, specifically from solar surface magnetograms. The code implements analytical magnetohydrostatic models…
PySEMTools is a Python-based library for post-processing simulation data produced with high-order hexahedral elements in the context of the spectral element method in computational fluid dynamics. It aims to minimize intermediate steps…
We present LBsoft, an open-source software developed mainly to simulate the hydro-dynamics of colloidal systems based on the concurrent coupling between lattice Boltzmann methods for the fluid and discrete particle dynamics for the…
Molecular dynamics simulations play an increasingly important role in the rational design of (nano)-materials and in the study of biomacromolecules. However, generating input files and realistic starting coordinates for these simulations is…
The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…
In this paper, we present a new Python library called mPyPl, which is intended to simplify complex data processing tasks using functional approach. This library defines operations on lazy data streams of named dictionaries represented as…
A Materials Project based open-source Python tool, MPInterfaces, has been developed to automate the high-throughput computational screening and study of interfacial systems. The framework encompasses creation and manipulation of interface…
Magpy is a C++ accelerated Python package for modelling and simulating the magnetic dynamics of nano-sized particles. Nanoparticles are modelled as a system of three-dimensional macrospins and simulated with a set of coupled stochastic…
The current fabrication and assembly of fluidic circuits for soft robots relies heavily on manual processes; as the complexity of fluidic circuits increases, manual assembly becomes increasingly arduous, error-prone, and timeconsuming. We…
BondGraphTools is a Python library for scripted modelling of complex multi-physics systems. In contrast to existing modelling solutions, BondGraphTools is based upon the well established bond graph methodology, provides a programming…
The transport and manipulation of particles and cells in microfluidic devices has become a core methodology in domains ranging from molecular biology to manufacturing and drug design. The rational design and operation of such devices can…
Molecular dynamics simulations have a prominent role in biophysics and drug discovery due to the atomistic information they provide on the structure, energetics and dynamics of biomolecules. Specialized software packages are required to…
Most ocean models in current use are built upon structured meshes. It follows that most existing tools for extracting diagnostic quantities (volume and surface integrals, for example) from ocean model output are constructed using techniques…
We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to…
This paper introduces the concept of functional current as a mathematical framework to represent and treat functional shapes, i.e. sub-manifold supported signals. It is motivated by the growing occurrence, in medical imaging and…
Mesoscopic simulations of hydrocarbon flow in source shales are challenging, in part due to the heterogeneous shale pores with sizes ranging from a few nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid and…