Catalysis-Hub
- Field(s) Catalysis, Theoretical chemistry
- Website https://www.catalysis-hub.org/
- Carrier institution Center for Interface Science and Catalysis,
SLAC National Accelerator Laboratory,
Stanford University - Link to publications
Yes, all data are linked to publications
- Certification None
- Perennial ID Non
- License
CC-BY 4.0
- Metadata standard
The repository is using its own metadata standard : volume, publisher, doi, title, year, email, number, tags, pages.
- Versioning Non
- Type of data
Reaction data from density functional theory (DFT) calculations, represented by graphs and refering to the associated article.
- Comments
Use the python package “CatHub” to deposit data. Follow the guidelines here.
The package will allow you to organize your data according to the repository standard and then publish.
- Contacts
winther@stanford.edu