Country: United Kingdom
Website: www.cardiff.ac.uk/
The Cardiff University is the leading academic institution of Wales. The Cardiff Catalyst Institute, which is part of the School of Chemistry, has world-leading reputation for catalysis research.
Hosting a leading center in catalysis (the Cardiff Catalysis Institute) with a solid track record in the utilization of computational chemistry and experimental catalysis, will combine robust density functional theory (DFT) methods with data-driven tools for the development of ML surrogate models that can predict accurately the performance of new catalyst’s composition.