Concept of the CritCat project

CritCat is a theory-driven project which aims to develop new catalyst nanoparticles from earth-abundant materials for hydrogen energy applications. Our interdisciplinary process combines theoretical and experimental activities and highlights the importance of modelling in materials discovery. By incorporating the latest knowhow with DFT simulations of catalytic reactions and machine learning algorithms in materials science, we aim to develop a modelling platform which enables efficient materials screening of potential catalyst materials. We wish to provide alternative solutions for precious metals such as platinum to alleviate problems with the availability of catalyst materials and to promote emerging technologies where these materials play a key role.