Research
Catalysis Hub is a A web-platform for sharing data and software for computational catalysis research
JCAP scientists are contributing data to the Catalysis Hub database developed by the DOE-supported SUNCAT program. The Surface Reactions database contains thousands of reaction energies and barriers from density functional theory (DFT) calculations on surface systems. Reactions can also be browsed under Contributors and Publications, and under Apps is a selection of computational tools.