IonDiff: command-line tool to identify ionic diffusion events and hopping correlations in molecular dynamics simulations-Reference-Cited by-同舟云学术

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

Published:2024-07-30 Issue:99 Volume:9 Page:6616
ISSN:2475-9066
Container-title:Journal of Open Source Software
language:
Short-container-title:JOSS

Author:

López Cibrán^ORCID,Rurali Riccardo^ORCID,Cazorla Claudio^ORCID

Publisher

The Open Journal

Link

https://joss.theoj.org/papers/10.21105/joss.06616.pdf

Reference11 articles.

1. DFT-AIMD database;López;NOMAD,2024

2. Universal ion-transport descriptors and classes of inorganic solid-state electrolytes;López;Mater. Horiz.,2023

3. How concerted are ionic hops in inorganic solid-state electrolytes?;López;J. Am. Chem. Soc.,2024

4. Scikit-learn: Machine learning in Python;Pedregosa;J. Mach. Learn. Res.,2011

5. Array programming with NumPy;Harris;Nature,2020

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