Skip to content

Commit

Permalink
Merge pull request #5705 from openjournals/joss.06616
Browse files Browse the repository at this point in the history
Merging automatically
  • Loading branch information
editorialbot authored Jul 30, 2024
2 parents 16bfe71 + 4700eda commit cc46443
Show file tree
Hide file tree
Showing 4 changed files with 950 additions and 0 deletions.
243 changes: 243 additions & 0 deletions joss.06616/10.21105.joss.06616.crossref.xml
Original file line number Diff line number Diff line change
@@ -0,0 +1,243 @@
<?xml version="1.0" encoding="UTF-8"?>
<doi_batch xmlns="http://www.crossref.org/schema/5.3.1"
xmlns:ai="http://www.crossref.org/AccessIndicators.xsd"
xmlns:rel="http://www.crossref.org/relations.xsd"
xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
version="5.3.1"
xsi:schemaLocation="http://www.crossref.org/schema/5.3.1 http://www.crossref.org/schemas/crossref5.3.1.xsd">
<head>
<doi_batch_id>20240730072940-291defc448ceb450a585061369ec1e95a0417363</doi_batch_id>
<timestamp>20240730072940</timestamp>
<depositor>
<depositor_name>JOSS Admin</depositor_name>
<email_address>admin@theoj.org</email_address>
</depositor>
<registrant>The Open Journal</registrant>
</head>
<body>
<journal>
<journal_metadata>
<full_title>Journal of Open Source Software</full_title>
<abbrev_title>JOSS</abbrev_title>
<issn media_type="electronic">2475-9066</issn>
<doi_data>
<doi>10.21105/joss</doi>
<resource>https://joss.theoj.org</resource>
</doi_data>
</journal_metadata>
<journal_issue>
<publication_date media_type="online">
<month>07</month>
<year>2024</year>
</publication_date>
<journal_volume>
<volume>9</volume>
</journal_volume>
<issue>99</issue>
</journal_issue>
<journal_article publication_type="full_text">
<titles>
<title>IonDiff: command-line tool to identify ionic diffusion
events and hopping correlations in molecular dynamics
simulations</title>
</titles>
<contributors>
<person_name sequence="first" contributor_role="author">
<given_name>Cibrán</given_name>
<surname>López</surname>
<ORCID>https://orcid.org/0000-0003-3949-5058</ORCID>
</person_name>
<person_name sequence="additional"
contributor_role="author">
<given_name>Riccardo</given_name>
<surname>Rurali</surname>
<ORCID>https://orcid.org/0000-0002-4086-4191</ORCID>
</person_name>
<person_name sequence="additional"
contributor_role="author">
<given_name>Claudio</given_name>
<surname>Cazorla</surname>
<ORCID>https://orcid.org/0000-0002-6501-4513</ORCID>
</person_name>
</contributors>
<publication_date>
<month>07</month>
<day>30</day>
<year>2024</year>
</publication_date>
<pages>
<first_page>6616</first_page>
</pages>
<publisher_item>
<identifier id_type="doi">10.21105/joss.06616</identifier>
</publisher_item>
<ai:program name="AccessIndicators">
<ai:license_ref applies_to="vor">http://creativecommons.org/licenses/by/4.0/</ai:license_ref>
<ai:license_ref applies_to="am">http://creativecommons.org/licenses/by/4.0/</ai:license_ref>
<ai:license_ref applies_to="tdm">http://creativecommons.org/licenses/by/4.0/</ai:license_ref>
</ai:program>
<rel:program>
<rel:related_item>
<rel:description>Software archive</rel:description>
<rel:inter_work_relation relationship-type="references" identifier-type="doi">10.5281/zenodo.12771455</rel:inter_work_relation>
</rel:related_item>
<rel:related_item>
<rel:description>GitHub review issue</rel:description>
<rel:inter_work_relation relationship-type="hasReview" identifier-type="uri">https://github.com/openjournals/joss-reviews/issues/6616</rel:inter_work_relation>
</rel:related_item>
</rel:program>
<doi_data>
<doi>10.21105/joss.06616</doi>
<resource>https://joss.theoj.org/papers/10.21105/joss.06616</resource>
<collection property="text-mining">
<item>
<resource mime_type="application/pdf">https://joss.theoj.org/papers/10.21105/joss.06616.pdf</resource>
</item>
</collection>
</doi_data>
<citation_list>
<citation key="database">
<article_title>DFT-AIMD database</article_title>
<author>López</author>
<journal_title>NOMAD</journal_title>
<doi>10.17172/NOMAD/2024.04.01-1</doi>
<cYear>2024</cYear>
<unstructured_citation>López, C., Rurali, R., &amp; Cazorla,
C. (2024). DFT-AIMD database. NOMAD.
https://doi.org/10.17172/NOMAD/2024.04.01-1</unstructured_citation>
</citation>
<citation key="Lopez2023">
<article_title>Universal ion-transport descriptors and
classes of inorganic solid-state electrolytes</article_title>
<author>López</author>
<journal_title>Mater. Horiz.</journal_title>
<volume>10</volume>
<doi>10.1039/D2MH01516A</doi>
<cYear>2023</cYear>
<unstructured_citation>López, C., Emperador, A., &amp;
Saucedo, E. et al. (2023). Universal ion-transport descriptors and
classes of inorganic solid-state electrolytes. Mater. Horiz., 10,
1757–1768. https://doi.org/10.1039/D2MH01516A</unstructured_citation>
</citation>
<citation key="Lopez2024">
<article_title>How concerted are ionic hops in inorganic
solid-state electrolytes?</article_title>
<author>López</author>
<journal_title>J. Am. Chem. Soc.</journal_title>
<volume>146</volume>
<doi>10.1021/jacs.3c13279</doi>
<cYear>2024</cYear>
<unstructured_citation>López, C., Rurali, R., &amp; Cazorla,
C. (2024). How concerted are ionic hops in inorganic solid-state
electrolytes? J. Am. Chem. Soc., 146, 8269–8279.
https://doi.org/10.1021/jacs.3c13279</unstructured_citation>
</citation>
<citation key="Pedregosa2011">
<article_title>Scikit-learn: Machine learning in
Python</article_title>
<author>Pedregosa</author>
<journal_title>J. Mach. Learn. Res.</journal_title>
<volume>12</volume>
<doi>10.48550/arXiv.1201.0490</doi>
<cYear>2011</cYear>
<unstructured_citation>Pedregosa, F., Varoquaux, G., &amp;
Gramfort, A. (2011). Scikit-learn: Machine learning in Python. J. Mach.
Learn. Res., 12, 2825–2830.
https://doi.org/10.48550/arXiv.1201.0490</unstructured_citation>
</citation>
<citation key="Harris2020">
<article_title>Array programming with NumPy</article_title>
<author>Harris</author>
<journal_title>Nature</journal_title>
<volume>585</volume>
<doi>10.1038/s41586-020-2649-2</doi>
<cYear>2020</cYear>
<unstructured_citation>Harris, C. R., Millman, K. J., &amp;
van der Walt, S. J. et al. (2020). Array programming with NumPy. Nature,
585, 357–362.
https://doi.org/10.1038/s41586-020-2649-2</unstructured_citation>
</citation>
<citation key="Hunter2007">
<article_title>Matplotlib: A 2D graphics
environment</article_title>
<author>Hunter</author>
<journal_title>Comput. Sci. Eng.</journal_title>
<volume>9</volume>
<doi>10.1109/MCSE.2007.55</doi>
<cYear>2007</cYear>
<unstructured_citation>Hunter, J. D. (2007). Matplotlib: A
2D graphics environment. Comput. Sci. Eng., 9, 90–95.
https://doi.org/10.1109/MCSE.2007.55</unstructured_citation>
</citation>
<citation key="Kresse1996">
<article_title>Efficient iterative schemes for ab initio
total-energy calculations using a plane-wave basis set</article_title>
<author>Kresse</author>
<journal_title>Phys. Rev. B</journal_title>
<volume>54</volume>
<doi>10.1103/PhysRevB.54.11169</doi>
<cYear>1996</cYear>
<unstructured_citation>Kresse, G., &amp; Furthmüller, J.
(1996). Efficient iterative schemes for ab initio total-energy
calculations using a plane-wave basis set. Phys. Rev. B, 54, 11169.
https://doi.org/10.1103/PhysRevB.54.11169</unstructured_citation>
</citation>
<citation key="Molinari2021">
<article_title>Spectral denoising for accelerated analysis
of correlated ionic transport</article_title>
<author>Molinari</author>
<journal_title>Phys. Rev. Lett.</journal_title>
<volume>127</volume>
<doi>10.1103/PhysRevLett.127.025901</doi>
<cYear>2021</cYear>
<unstructured_citation>Molinari, N., Xie, Y., Leifer, I.,
Marcolongo, A., Kornbluth, M., &amp; Kozinsky, B. (2021). Spectral
denoising for accelerated analysis of correlated ionic transport. Phys.
Rev. Lett., 127, 025901.
https://doi.org/10.1103/PhysRevLett.127.025901</unstructured_citation>
</citation>
<citation key="Sasaki2023">
<article_title>Nonequilibrium molecular dynamics for
accelerated computation of ion–ion correlated conductivity beyond
Nernst–Einstein limitation</article_title>
<author>Sasaki</author>
<journal_title>npj Comput. Mater.</journal_title>
<volume>9</volume>
<doi>10.1038/s41524-023-00996-8</doi>
<cYear>2023</cYear>
<unstructured_citation>Sasaki, R., Gao, B., Hitosugi, T.,
&amp; Tateyama, Y. (2023). Nonequilibrium molecular dynamics for
accelerated computation of ion–ion correlated conductivity beyond
Nernst–Einstein limitation. Npj Comput. Mater., 9, 48.
https://doi.org/10.1038/s41524-023-00996-8</unstructured_citation>
</citation>
<citation key="Hull2004">
<article_title>Superionics: crystal structures and
conduction processes</article_title>
<author>Hull</author>
<journal_title>Rep. Prog. Phys.</journal_title>
<volume>67</volume>
<doi>10.1088/0034-4885/67/7/R05</doi>
<cYear>2004</cYear>
<unstructured_citation>Hull, S. (2004). Superionics: crystal
structures and conduction processes. Rep. Prog. Phys., 67, 1233.
https://doi.org/10.1088/0034-4885/67/7/R05</unstructured_citation>
</citation>
<citation key="Sagotra2017">
<article_title>Stress-mediated enhancement of ionic
conductivity in fast-ion conductors</article_title>
<author>Sagotra</author>
<journal_title>ACS Appl. Mater. Interfaces.</journal_title>
<volume>9</volume>
<doi>10.1021/acsami.7b11687</doi>
<cYear>2017</cYear>
<unstructured_citation>Sagotra, A. K., &amp; Cazorla, C.
(2017). Stress-mediated enhancement of ionic conductivity in fast-ion
conductors. ACS Appl. Mater. Interfaces., 9, 38773.
https://doi.org/10.1021/acsami.7b11687</unstructured_citation>
</citation>
</citation_list>
</journal_article>
</journal>
</body>
</doi_batch>
Binary file added joss.06616/10.21105.joss.06616.pdf
Binary file not shown.
Loading

0 comments on commit cc46443

Please sign in to comment.