Skip to content

Citing

If you use BaderKit in your research please consider citing our work.

BaderKit

The Bader class methods are described in our original software publication.

Weaver, S. M.; Warren, S. BaderKit: A Python Package for Grid-Based Bader Charge Analysis. JOSS 2026, 11, 9943.

Badelf and ElfRadii

The BadELF method and ELF radii are described in the original BadELF paper.

Weaver, S. M.; Sundberg, J. D.; Slamowitz, C. C.; Radomsky, R. C.; Lanetti, M. G.; McRae, L. M.; Warren, S. C. Counting Electrons in Electrides. J. Am. Chem. Soc. 2023, 145, 26472–26476.

Other

Other methods including the BasinOverlap class and ElfLabeler class are works in progress and have not been published yet. Please cite the original BaderKit paper for now.