ASE Calculator for DC-DFTB-MD

prueba crear repo

This repository contains examples of genetic algorithm optimisations using the Organisms program that can be run on Jupyter. This can be run either on your computer or live on the web through Binder

Wrapper around ASE Atoms object following the AtomsBase interface

Generate a molecular junction (electrode-molecule-electrode) with FCC111 gold electrodes.

A Simple code for calculating Energy, Frequencies, Thermochemistry and Optimization

Re-implements Fear Evolved Dodo Wyvern event boss fight mechanics for Scorched Earth

Use this module to read, and write to a number of colour palette file formats

The Game

A useful toolbox for using Aiida and constructing and viewing your initial structure for the simulation.

softwares and tools for computational materials science

Fuel In is a responsible public company establish in Sri Lanka where they distribute and manage fuel supply island wide.

Load an ASE file and add an animation

ASE-compatible calculator for DFTK

Convert ASE palettes to ACO palettes

Material simulation tutorial on DFT for high school students to find alternative, green energy source to fossil fuels.

ASE calculator for RASPA2

A python package to allow .ase and .aseprite files to be loaded into pygame