IonDiff: command-line tool to identify ionic diffusion events and hopping correlations in molecular dynamics simulations

Python Submitted 06 April 2024Published 30 July 2024
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Editor: @rkurchin (all papers)
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Authors

Cibrán López (0000-0003-3949-5058), Riccardo Rurali (0000-0002-4086-4191), Claudio Cazorla (0000-0002-6501-4513)

Citation

López et al., (2024). IonDiff: command-line tool to identify ionic diffusion events and hopping correlations in molecular dynamics simulations. Journal of Open Source Software, 9(99), 6616, https://doi.org/10.21105/joss.06616

@article{López2024, doi = {10.21105/joss.06616}, url = {https://doi.org/10.21105/joss.06616}, year = {2024}, publisher = {The Open Journal}, volume = {9}, number = {99}, pages = {6616}, author = {Cibrán López and Riccardo Rurali and Claudio Cazorla}, title = {IonDiff: command-line tool to identify ionic diffusion events and hopping correlations in molecular dynamics simulations}, journal = {Journal of Open Source Software} }
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Molecular dynamics Solid-state electrolytes

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