Université de Bordeaux
LabEx AMADEusCluster of Excellence
Cluster of excellence

Theoretical modeling at the frontier between soft matter and organic electronics #1

Theoretical modeling at the frontier between soft matter and organic electronics #1

Understanding and predicting the different facets of Organic materials and devices

Theoretical modeling is central to a fundamental understanding of the electronic processes governing the operation and performance of the devices, particularly in the active layer and at the interfaces ubiquitous in transistors, OLEDs and solar cells.

Working in close connection with the experimentalists and other theoreticians of the AMADEus consortium, the mission of this Junior chair is to rationalize the experiments using a combination of theory and computer simulations, to establish structure-properties relationships, and to develop predictive theoretical tools providing new guidelines for material design and architecture.

Dr. Luca Muccioli was hired in September 2014 as Junior Chair in « Theoretical modeling at the frontier between soft matter and organic electronics »  and he is now already running his project “From  molecules  to  organic  electronics  devices:  a  bottom-up  computational  approach” (Mol2Dev), together with a PhD student,  Mr. Sai Manoj Gali, and a postdoctoral one, Dr. Micaela Matta. The team is hosted in the Laboratoire de Chimie des Polymères Organiques – UMR 5629, situated in the University of Bordeaux Campus of Pessac.

The ambitious objective of the project is to predict “in silico” the functioning of real devices starting from the chemical structure of the individual components.



HAUT