Materials Design Group

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

A Fortran code to convert VASP POSCAR file to FHI-AIMS geometry.in

Python package to interact with high-dimensional representations of the chemical elements

Python package to aid materials design and informatics

Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.

Python package to simulate differential absorption spectra of crystals from first principles