Open jvita opened 11 months ago
Josh Vita
vita1@llnl.gov
CdSe_JMST2023
Linshuang Zhang, Manyi Yang, Shiwei Zhang, Haiyang Niu
https://www.sciencedirect.com/science/article/pii/S1005030223009623
No response
Active learning dataset using the structure factor as a collective variable
SCAN
VASP
Cd, Se
Contacted corresponding author
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contact attempt
Name
Josh Vita
Email
vita1@llnl.gov
Dataset name
CdSe_JMST2023
Authors
Linshuang Zhang, Manyi Yang, Shiwei Zhang, Haiyang Niu
Publication link
https://www.sciencedirect.com/science/article/pii/S1005030223009623
Data link
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Additional links
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Dataset description
Active learning dataset using the structure factor as a collective variable
File details
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Method
SCAN
Method (other)
SCAN
Software
VASP
Software (other)
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Software version(s)
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Additional details
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Property types
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Other/additional property
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Property details
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Elements
Cd, Se
Number of Configurations
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Naming convention
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Configuration sets
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Configuration labels
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Distribution license
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Permissions