| Official site | https://www.catalysis-hub.org/ |
|---|---|
| Openness | ★★★ |
| Manual | ttps://docs.catalysis-hub.org/en/latest/ |
| License |
Content on Catalysis-Hub is licensed under a [Creative Commons Attribution 4.0 International License](http://creativecommons.org/licenses/by/4.0/), except where otherwise noted. |
| Core Developers |
Catalysis-Hub is developed by the [SUNCAT Center for Interface Science and Catalysis**](https://suncat.stanford.edu/), [SLAC National Accelerator Laboratory](https://www6.slac.stanford.edu/), [Stanford University](https://suncat.stanford.edu/). |
| Related Papers |
Catalysis-Hub.org, an open electronic structure database for surface reactions, |
| Related Sites |
The Python API code related to this project is released as open source on GitHub under the GPL-3.0 License. The code related to the web platform is also open sourced on GitHub under the GPL-3.0 License (for the backend) and the MIT License (for the frontend). |
Catalysis Hub
Catalysis-Hub.org is an open web platform supporting computational catalysis research. At its core is the Surface Reactions Database (CatApp v2.0), which hosts more than 150,000 reaction energies and barriers obtained from density functional theory (DFT) calculations. The resource provides reliable datasets and starting points for trend analyses in heterogeneous catalysis, enabling exploration of reaction mechanisms and activity descriptors. By integrating electronic structure results with accessible tools, the platform facilitates reproducible studies and helps bridge theory with experiment, accelerating catalyst discovery for energy conversion and sustainable chemical processes.
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