Escaping from the Franck-Condon region: a theoretical approach to describe molecular
STructural ReorganIzation for reversible EnerGy and information storage at the Excited State

 

 

PI Dr Ilaria Ciofini

Consolidator Grant (CoG), ERC-2014-CoG STRIGES n° 648558

HOST INSTITUTION: CNRS
Start date: 2015-11-01, End date: 2020-10-31

 

 

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.

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Events financed by the project:

Excited States in Complex Systems ESCS 2016 (November, 21-23 2016 Paris France)

This workshop gathered together 50 scientists active in the development and application of theoretical methods to describe excited states as well as in the experimental design and characterization of complex photoactive molecular and extended systems. Participation of young investigators was particularly welcome and active !!!

 

Members financed by the STRIGES project [link each name to the pages of the group member]

Dr Marco Campetella

Dr Juan Sanz-Garcia

Ms Federica Maschietto

Tools : Download our programs to describe excited state using Density Based Indexes