He has published more than 210 scientific articles, which have received over 30,000 citations (h-index of 59). He was co-editor of EPL (formerly Euro Physics Letters) from 2010 to 2015, and is member of the Editorial Boards of the Physica Status Solidi journals since 2004 and Nanomaterials since 2018. He became a fellow of the American Physical Society in 2005, and received the Narcís Monturiol medal from the Catalan Government in 2018. His research is focused on the development of efficient methods for electronic structure calculations in large and complex systems, with contributions to the development of techniques for large-scale atomistic simulations based on first-principles methods such as SIESTA. He has also been involved in the study of the fundamental properties of materials at the atomistic level. His current interests include electronic transport in nanoscale devices and electronic processes at surfaces and 2D materials, among many others. He maintains frequent collaborations with industrial laboratories on the simulation of material processes at the atomic level.