Her research exploits modern computational tools and conceptual methods towards the understanding and prediction of new organic or inorganic molecules as well as the design of sustainable chemical processes. Some of her recent interests include molecular switches, expanded porphyrins, main group metal catalysis, chemical systems under pressure and mechanical forces, supramolecular gels and single-molecule molecular electronics. Understanding the structure, bonding, electron delocalization and reactivity of such systems is one of the primary goals. Within her research, the development, implementation and application of aromaticity indices constitutes an important research line together with the application of neural networks and machine learning techniques for defining insightful structure-function relationships. Prof. Alonso is an author of about 95 papers and book chapters.
