CITATION.cff

cff-version: 1.2.0
message: "If you use this software, please cite it using the metadata below."
title: "Modeling Materials Using Density Functional Theory"
type: software
authors:
  - family-names: Kitchin
    given-names: John R.
    orcid: "https://orcid.org/0000-0003-2625-9232"
    affiliation: Carnegie Mellon University
repository-code: "https://github.com/jkitchin/dft-book"
version: "0.1.0"
date-released: "2026-10-20"
license: [CC-BY-4.0, MIT]
abstract: "An open textbook on modeling materials with density functional theory using VASP, the Atomic Simulation Environment, and Python, with runnable examples."
keywords: [DFT, VASP, ASE, open educational resources, textbook]