Computational Materials Science Laboratory

The CMSL brings together scientists working on a series of research lines sharing the common goal of understanding the intimate properties of different types of materials to be able to tailor their performance in different technologies. These include heterogeneous catalysis, photocatalysis and electrocatalysis, strongly correlated systems, and nanomaterials with increasing application of machine learning for the prediction of new materials. The CMSL strongly promotes synergies between the different lines and includes experimentalists to better focus on practical problems. The CMSL is involved in many external collaborations with other theoretical and experimental groups, often to tackle problems of technological and/or environmental importance. This wide spectrum of interest together to the high expertise of CMSL members allows for a multi-faceted approach which is enforced through interactions between CMSL and industry.