Christopher Ostrouchov

pysrim: Automation, Analysis, and Plotting of SRIM Calculations

DFTFIT is a python code that uses DFT calculations to develop molecular dynamic potentials

A high performance python LAMMPS wrapper

A Minecraft Server with RaspberryJuice and Jupyter Notebooks

LAMMPS with all combinations: serial, mpi, no packages, and all packages

srim working in a docker container!

The kinetic Activation-Relaxation Technique (k-ART)

Quantum ESPRESSO is an integrated suite for electronic-structure calculations and materials modeling

The command-line tool for Polymer projects and Web Components.

A Fast and Flexible Static Site Generator built with love by bep, spf13 and friends in Go.

Python Materials Genomics (pymatgen) is a robust materials analysis code

A template that I myself use. This is the docker build part.