Determines the allowed 3-phonon interactions for a given set of phonon frequencies on a grid of q points.

Graphics Processing Units Molecular Dynamics

[Fork-n-Go] A simple personal page. Demo:

Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)

Lattice gas Monte Carlo simulation code

Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.

ChooChoo! Checklist Tool

How to use Jupyter notebooks and R markdown to create living documents and reproducible reports.

[Fork-n-Go] A simple personal page. Demo:

A GitHub action to create or update an issue or pull request comment

Lecture notes for KD4010

Calculates the pair distribution function (PDF) of a POSCAR file.

A code to compute the radial distribution function

A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.

A template for Python Projects. INSERT TAGLINE HERE.™

📦 A Human's Ultimate Guide to setup.py.

Julia package to compute trap-assisted electron and hole capture in semiconductors

Heavyweight plotting tools for ab initio calculations