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Computational data related to: "Exploration and Optimization in Crystal Structure Prediction: Combining Basin Hopping with Quasi-Random Sampling"

Computational data related to: "Exploration and Optimization in Crystal Structure Prediction: Combining Basin Hopping with Quasi-Random Sampling"
Computational data related to: "Exploration and Optimization in Crystal Structure Prediction: Combining Basin Hopping with Quasi-Random Sampling"
Computational data related to landscapes of predicted crystal structures reported in: Exploration and Optimization in Crystal Structure Prediction: Combining Basin Hopping with Quasi-Random Sampling
University of Southampton
Yang, Shiyue
84a0b201-e9ff-4a05-9287-388e7a99eb49
Day, Graeme
e3be79ba-ad12-4461-b735-74d5c4355636
Yang, Shiyue
84a0b201-e9ff-4a05-9287-388e7a99eb49
Day, Graeme
e3be79ba-ad12-4461-b735-74d5c4355636

Yang, Shiyue and Day, Graeme (2020) Computational data related to: "Exploration and Optimization in Crystal Structure Prediction: Combining Basin Hopping with Quasi-Random Sampling". University of Southampton doi:10.5258/SOTON/D1690 [Dataset]

Record type: Dataset

Abstract

Computational data related to landscapes of predicted crystal structures reported in: Exploration and Optimization in Crystal Structure Prediction: Combining Basin Hopping with Quasi-Random Sampling

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readme_deposition.docx - Dataset
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bzamid_2.txt - Dataset
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bzamid_2.zip - Dataset
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bzamid_4.txt - Dataset
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bzamid_4.zip - Dataset
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bzamid_14.txt - Dataset
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bzamid_14.zip - Dataset
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bzamid_15.txt - Dataset
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bzamid_15.zip - Dataset
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bzamid_19.txt - Dataset
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bzamid_19.zip - Dataset
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bzamid_43.txt - Dataset
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bzamid_43.zip - Dataset
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bzamid_88.txt - Dataset
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bzamid_88.zip - Dataset
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glycin_14.txt - Dataset
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glycin_14.zip - Dataset
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glycin_19.txt - Dataset
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glycin_19.zip - Dataset
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glycin_43.zip - Dataset
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glycin_43.txt - Dataset
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pyrpma_2.txt - Dataset
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pyrpma_2.zip - Dataset
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pyrpma_4.zip - Dataset
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pyrpma_4.txt - Dataset
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pyrpma_14.txt - Dataset
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tcyety_2.txt - Dataset
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tcyety_2.zip - Dataset
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tcyety_4.txt - Dataset
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tcyety_4.zip - Dataset
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pyrpma_14.zip - Dataset
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tcyety_14.txt - Dataset
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tcyety_14.zip - Dataset
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tcyety_15.txt - Dataset
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tcyety_15.zip - Dataset
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tcyety_19.txt - Dataset
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tcyety_19.zip - Dataset
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tcyety_43.zip - Dataset
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tcyety_43.txt - Dataset
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tcyety_88.txt - Dataset
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tcyety_88.zip - Dataset
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ttbi_2.txt - Dataset
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ttbi_4.txt - Dataset
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ttbi_2.zip - Dataset
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ttbi_4.zip - Dataset
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ttbi_14.txt - Dataset
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ttbi_15.txt - Dataset
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ttbi_14.zip - Dataset
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ttbi_19.txt - Dataset
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ttbi_15.zip - Dataset
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ttbi_19.zip - Dataset
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ttbi_43.txt - Dataset
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ttbi_77.txt - Dataset
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ttbi_43.zip - Dataset
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ttbi_77.zip - Dataset
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ttbi_86.txt - Dataset
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ttbi_88.txt - Dataset
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ttbi_86.zip - Dataset
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ttbi_88.zip - Dataset
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xafqaz_14.zip - Dataset
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xafqaz_43.txt - Dataset
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xafqaz_14.txt - Dataset
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xafqaz_43.zip - Dataset
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xafqaz_88.txt - Dataset
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xxv_88.zip - Dataset
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glycin_2.zip - Dataset
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glycin_4.zip - Dataset
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glycin_15.zip - Dataset
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glycin_88.zip - Dataset
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glycin_4.txt - Dataset
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glycin_2.txt - Dataset
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glycin_15.txt - Dataset
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glycin_88.txt - Dataset
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More information

Published date: 1 December 2020
Learn more about School of Chemistry research

Identifiers

Local EPrints ID: 446227
URI: http://eprints.soton.ac.uk/id/eprint/446227
DOI: doi:10.5258/SOTON/D1690
PURE UUID: 8873bf55-50b5-469b-8b91-3c3478344110
ORCID for Graeme Day: ORCID iD orcid.org/0000-0001-8396-2771

Catalogue record

Date deposited: 29 Jan 2021 17:32
Last modified: 06 May 2023 01:47

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Contributors

Creator: Shiyue Yang
Creator: Graeme Day ORCID iD

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