Escaping from the franck-condon region : a theoretical approach to describe molecular structural reorganization for reversible energy and information storage at the excited state
STRIGES is a theoretical project aimed at developing new computational approaches and descriptors essentially rooted on Density Functional Theory enabling to design new single molecule architectures able to undergo to significant light induced electronic and structural reorganization.
In this respect the present project concerns beside fundamental goals, such as the development of new theoretical approaches for the description of photochemical and photophysical processes in molecular systems,  the description and prediction of photoinduced phenomena  which is indeed of fundamental importance also in many research fields of technological relevance, ranging from artificial photosynthesis to molecular electronics.
To this end, we will develop, implement and apply suitable theoretical tools enabling the accurate description of potential energy surfaces of the lowest lying excited states not exclusively within the Franck-Condon region. From the application point of view, the end point of this project is the in-silico design and optimization of two new classes of photomolecular devices.