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Computational data related to "Digital Navigation of Energy–Structure–Function Maps for Hydrogen-Bonded Porous Molecular Crystals"

Computational data related to "Digital Navigation of Energy–Structure–Function Maps for Hydrogen-Bonded Porous Molecular Crystals"
Computational data related to "Digital Navigation of Energy–Structure–Function Maps for Hydrogen-Bonded Porous Molecular Crystals"
Computational data related to landscapes of predicted crystal structures reported in Digital Navigation of Energy–Structure–Function Maps for Hydrogen-Bonded Porous Molecular Crystals
crystal structure prediction, machine learning, porous material, polymorphism
University of Southampton
Zhao, Chengxi
f98dd9be-ade2-4e64-8fde-38bd30f959c3
Chen, Linjiang
7d1fe6a0-48a1-4456-9665-1112b83f5fc3
Che, Yu
6c99ad0e-9173-49c5-b050-86c237675919
Pang, Zhongfu
feb19c56-c7f9-41de-aa1b-600a4110cae4
Wu, Xiaofeng
b9998567-2bc1-4d12-b108-456fe7d3fba0
Lu, Yunxiang
e4562820-21f7-49de-ae59-47f733a73bb5
Liu, Honglai
af610853-fe83-49b6-b077-dd502f12b270
Day, Graeme
e3be79ba-ad12-4461-b735-74d5c4355636
Cooper, Andrew I.
f6374027-4856-4d3a-998d-2bfec79a7a42
Zhao, Chengxi
f98dd9be-ade2-4e64-8fde-38bd30f959c3
Chen, Linjiang
7d1fe6a0-48a1-4456-9665-1112b83f5fc3
Che, Yu
6c99ad0e-9173-49c5-b050-86c237675919
Pang, Zhongfu
feb19c56-c7f9-41de-aa1b-600a4110cae4
Wu, Xiaofeng
b9998567-2bc1-4d12-b108-456fe7d3fba0
Lu, Yunxiang
e4562820-21f7-49de-ae59-47f733a73bb5
Liu, Honglai
af610853-fe83-49b6-b077-dd502f12b270
Day, Graeme
e3be79ba-ad12-4461-b735-74d5c4355636
Cooper, Andrew I.
f6374027-4856-4d3a-998d-2bfec79a7a42

Zhao, Chengxi, Chen, Linjiang, Che, Yu, Pang, Zhongfu, Wu, Xiaofeng, Lu, Yunxiang, Liu, Honglai, Day, Graeme and Cooper, Andrew I. (2021) Computational data related to "Digital Navigation of Energy–Structure–Function Maps for Hydrogen-Bonded Porous Molecular Crystals". University of Southampton doi:10.5258/SOTON/D1602 [Dataset]

Record type: Dataset

Abstract

Computational data related to landscapes of predicted crystal structures reported in Digital Navigation of Energy–Structure–Function Maps for Hydrogen-Bonded Porous Molecular Crystals

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S2_ESF_data.txt - Dataset
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More information

Published date: 4 January 2021
Keywords: crystal structure prediction, machine learning, porous material, polymorphism

Identifiers

Local EPrints ID: 445624
URI: http://eprints.soton.ac.uk/id/eprint/445624
DOI: doi:10.5258/SOTON/D1602
PURE UUID: f3396cc0-420a-4a23-9e05-5f66f0ca9691
ORCID for Graeme Day: ORCID iD orcid.org/0000-0001-8396-2771

Catalogue record

Date deposited: 04 Jan 2021 17:31
Last modified: 06 May 2023 01:47

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Contributors

Creator: Chengxi Zhao
Creator: Linjiang Chen
Creator: Yu Che
Creator: Zhongfu Pang
Creator: Xiaofeng Wu
Creator: Yunxiang Lu
Creator: Honglai Liu
Creator: Graeme Day ORCID iD
Creator: Andrew I. Cooper

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