Software repository
Paper review
Download paper
Software archive
Review
Editor: @jgostick (all papers)
Reviewers: @mkhorton (all reviews), @srmnitc (all reviews)
Authors
Matthew L. Evans (0000-0002-1182-9098), Andrew J. Morris (0000-0001-7453-5698)
Citation
Evans et al., (2020). matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations. Journal of Open Source Software, 5(54), 2563, https://doi.org/10.21105/joss.02563
@article{Evans2020,
doi = {10.21105/joss.02563},
url = {https://doi.org/10.21105/joss.02563},
year = {2020},
publisher = {The Open Journal},
volume = {5},
number = {54},
pages = {2563},
author = {Matthew L. Evans and Andrew J. Morris},
title = {matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations},
journal = {Journal of Open Source Software}
}
Tags
density-functional theory ab initio crystal structure prediction materials discovery databases castep quantum espresso mongodb
Altmetrics
Markdown badge
License
Authors of JOSS papers retain copyright.
This work is licensed under a Creative Commons Attribution 4.0 International License.
