dynamics, and electronic properties across length scales ranging from single molecules to condensed-phase systems. In this context, theoretical modeling plays not merely an interpretative role, but makes a decisive contribution to the rational design of materials with tailored properties, reducing experimental time and costs while guiding the development of new technological applications.
This research falls within the field of theoretical and computational chemistry applied to organic materials, an area that integrates methods from theoretical physics, quantum chemistry, and materials science to study complex systems. This research domain lies at the interface of chemistry, condensed matter physics, and nanotechnology, with the aim of understanding and predicting the emergent properties of organized molecular systems and functional materials.