doped: Python package for charged defect supercell calculations

Recording of my talk at APS March 2024 in Minneapolis, on "doped: Python toolkit for robust and repeatable charged defect supercell calculations".
doped is our defect calculation software for the generation, pre-/post-processing, and analysis of defect supercell calculations.

doped has been built to implement the defect simulation workflow in an efficient and user-friendly – yet powerful and fully-flexible – manner, with the goal of providing a robust general-purpose platform for conducting reproducible calculations of solid-state defect properties.

Slides available here: https://speakerdeck.com/kavanase/dope...
Also see the Twitter thread highlighting the key features of doped here: https://x.com/Kavanagh_Sean_/status/1...

Docs: https://doped.readthedocs.io
JOSS Paper: https://doi.org/10.21105.joss.06433
(arXiv: https://arxiv.org/abs/2403.08012)