Search Results for "simulations"

The main goal of this project was developing phase-field simulations of lithium dendrite growth with FEniCS programmed in Python. The problem was based in the grand potential-based model of Zijian Hong and Venkatasubramanian Viswanathan (https://doi.org/10.1021/acsenergylett.8b01009) . Some simpler examples were developed before for a first approach with FEniCS: heat equation and combustion model.

Alchemy Linux is a Linux distribution (based on Fedora) for chemists (and mathematicians and physicists). This remix comes with a whole set of packages to help with experiments, simulations and publications. (This project is not maintained or endorsed by Red Hat or the Fedora project).

...VarData) manipulate a structure of points connected by links. Addraw) openGL engine. ElPoly) analyze mechanical properties of polymer and membrane like structures. Addyn) perform molecular dynamics and Monte Carlo simulations and has a solver for 4th oder PDE. Avvis) perform all the operation of Matematica on different sets of data visualized on a Qt graphical interface. DrImage) image manipulation on the Matematica filters. The program is intended to use as less as possible external libs (optional: openGL, gsl, fftw, cgal, png, tiff, boost, MPI, Qt...).

The Python Unified Membrane Analysis Toolkit is a suite of python tools for analyzing molecular dynamics simulations of membranes.

TAROT is a easy-to-use framework for Monte Carlo simulations in python. Calculations between different kinds of randomly distributed numbers are made as easy as basic arithmetics. Tarot provides an interactive graphical interface for interpretation.

ĄHola!, for "Hordes of Little Atoms," is a project to develop a lean, modular, scalable toolkit for massive simulations of particle (molecular) dynamics. It is written in C and Python to get the best balance between programmer and run time.