The University of Southampton
×
Filter your search:
University of Southampton Institutional Repository

Dataset in support of the article 'Large-scale density functional theory simulations of defects and hydrogen incorporation in PuO2'

Dataset in support of the article 'Large-scale density functional theory simulations of defects and hydrogen incorporation in PuO2'
Dataset in support of the article 'Large-scale density functional theory simulations of defects and hydrogen incorporation in PuO2'
This dataset hosts computational data supporting the findings in the paper: Large-scale density functional theory simulations of defects and hydrogen incorporation in PuO2, Nabeel Anwar, Robert M. Harker, Mark T. Storr, Marco Molinari, and Chris-Kriton Skylaris, Phys. Rev. B, 2024, 109, 224102. Available from https://doi.org/10.1103/PhysRevB.109.224102. The data is located at: Anwar, Nabeel (2024), “Data for: Large-Scale DFT Simulations of Defects and Hydrogen Incorporation in PuO2”, Mendeley Data, V1, doi: 10.17632/7v6gc7bz34.1 Accessible under UK Ministry of Defence © Crown owned copyright 2024/AWE
Mendeley Data
Anwar, Nabeel
661d9a85-a01e-43d2-b5b6-5eb5c4029385
Skylaris, Chris
8f593d13-3ace-4558-ba08-04e48211af61
Storr, Mark
a26917cb-4b1d-4ca7-a6bb-25eb89e6e451
Harker, Robert
d839c95b-57c0-4919-a5c2-577bed87a3a8
Molinari, Marco
aa0ce49d-69de-4468-b4fc-8f40cde01308
Anwar, Nabeel
661d9a85-a01e-43d2-b5b6-5eb5c4029385
Skylaris, Chris
8f593d13-3ace-4558-ba08-04e48211af61
Storr, Mark
a26917cb-4b1d-4ca7-a6bb-25eb89e6e451
Harker, Robert
d839c95b-57c0-4919-a5c2-577bed87a3a8
Molinari, Marco
aa0ce49d-69de-4468-b4fc-8f40cde01308

Anwar, Nabeel (2024) Dataset in support of the article 'Large-scale density functional theory simulations of defects and hydrogen incorporation in PuO2'. Mendeley Data doi:10.17632/7v6gc7bz34.1 [Dataset]

Record type: Dataset

Abstract

This dataset hosts computational data supporting the findings in the paper: Large-scale density functional theory simulations of defects and hydrogen incorporation in PuO2, Nabeel Anwar, Robert M. Harker, Mark T. Storr, Marco Molinari, and Chris-Kriton Skylaris, Phys. Rev. B, 2024, 109, 224102. Available from https://doi.org/10.1103/PhysRevB.109.224102. The data is located at: Anwar, Nabeel (2024), “Data for: Large-Scale DFT Simulations of Defects and Hydrogen Incorporation in PuO2”, Mendeley Data, V1, doi: 10.17632/7v6gc7bz34.1 Accessible under UK Ministry of Defence © Crown owned copyright 2024/AWE

Archive
Data_DFT_Defect_PuO2.zip - Dataset
Download (216MB)

More information

Published date: 3 June 2024
Related URLs:
Learn more about School of Chemistry research Learn more about Institute for Life Sciences research Learn more about Institute for Life Sciences research

Identifiers

Local EPrints ID: 490823
URI: http://eprints.soton.ac.uk/id/eprint/490823
DOI: doi:10.17632/7v6gc7bz34.1
PURE UUID: 7d2324e4-4d3b-42d1-99a2-4700a7748d72
ORCID for Nabeel Anwar: ORCID iD orcid.org/0000-0003-1221-9256
ORCID for Chris Skylaris: ORCID iD orcid.org/0000-0003-0258-3433

Catalogue record

Date deposited: 06 Jun 2024 17:09
Last modified: 07 Jun 2024 01:59

Export record

Altmetrics

Contributors

Creator: Nabeel Anwar ORCID iD
Research team head: Chris Skylaris ORCID iD
Research team head: Mark Storr
Research team head: Robert Harker
Research team head: Marco Molinari

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Library staff additional information
Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of http://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×