The research carried out by the Modelling group has mainly focused on:

(i) the theoretical and computational modeling of photoexcitation and photoionization processes in atomic, molecular and solid-state systems induced by synchrotron radiation and ultrashort laser pulses with femto- and attosecond duration, with the aim, of imaging and controlling ultrafast electron and nuclear dynamics occurring in these systems ,and

(ii) the study and theoretical prediction of properties of materials and nano-objects of complex molecular systems, aggregates and fullerenes, isolated or deposited on metallic and nonmetallic surfaces, with emphasis on problems with potential interest in chemistry and biology and the design of novel two-dimensional materials, including graphene.

This, in close collaboration with prestigious Spanish and international experimental groups.

The group has published more than 430 articles in international journals, among them several in the journals Science (4) Nature (2), Chemical Reviews (1), Nature Chemistry (2), Nature Physics (2), Nature Photonics (1), Nature Communications (4), Proceedings of the National Academy of Science (3), Physical Review Letters (31), Angewandte Chemie (2), Journal of the American Chemical Society (3), ACS Nano (1), Advanced Materials (1), Small (1), and Nano Letters (1) as well as several reviews and book chapters.

The leading researcher has a well-established international reputation in the field of Physical Chemistry. In recent years, the research carried out by this group has been recognized by several awards, including an Advanced grant from the European Research Council (ERC) entitled “XUV/X-ray lasers for ultrafast electroniccontrol in chemistry (XCHEM, https://www.xchem.uam.es/xchem/)” that ended in August 2017 and the “Premio Rey Jaime I en Investigación Básica” in 2017 for his contributions in fundamental theoretical aspects of a new research field “the Attochemistry”.