BaderKit: A Python Package for Grid-based Bader Charge Analysis

Python Submitted 30 October 2025Published 02 May 2026
Review

Editor: @zhubonan (all papers)
Reviewers: @obaica (all reviews), @mdavezac (all reviews)

Authors

Samuel M. Weaver (0000-0001-9358-3281), Scott Warren (0000-0002-2883-0204)

Citation

Weaver et al., (2026). BaderKit: A Python Package for Grid-based Bader Charge Analysis. Journal of Open Source Software, 11(121), 9943, https://doi.org/10.21105/joss.09943

@article{Weaver2026, doi = {10.21105/joss.09943}, url = {https://doi.org/10.21105/joss.09943}, year = {2026}, publisher = {The Open Journal}, volume = {11}, number = {121}, pages = {9943}, author = {Weaver, Samuel M. and Warren, Scott}, title = {BaderKit: A Python Package for Grid-based Bader Charge Analysis}, journal = {Journal of Open Source Software} }
Copy citation string · Copy BibTeX  
Tags

Chemistry Quantum Theory of Atoms in Molecules Topology Oxidation States Bader

Altmetrics
Markdown badge

 

License

Authors of JOSS papers retain copyright.

This work is licensed under a Creative Commons Attribution 4.0 International License.

Creative Commons License

Table of Contents
Public user content licensed CC BY 4.0 unless otherwise specified.
ISSN 2475-9066