PyDMF: A Python package for variational double-ended reaction-path and transition-state optimization

Python Submitted 04 December 2025Published 13 August 2026
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Editor: @abhishektiwari (all papers)
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Authors

Shin-ichi Koda (0000-0003-0993-3678), Shinji Saito (0000-0003-4982-4820)

Citation

Koda et al., (2026). PyDMF: A Python package for variational double-ended reaction-path and transition-state optimization. Journal of Open Source Software, 11(124), 10379, https://doi.org/10.21105/joss.10379

@article{Koda2026, doi = {10.21105/joss.10379}, url = {https://doi.org/10.21105/joss.10379}, year = {2026}, publisher = {The Open Journal}, volume = {11}, number = {124}, pages = {10379}, author = {Koda, Shin-ichi and Saito, Shinji}, title = {PyDMF: A Python package for variational double-ended reaction-path and transition-state optimization}, journal = {Journal of Open Source Software} }
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chemistry physics materials science reaction path transition state

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ISSN 2475-9066