Theoretical and Computational Organic Opto-electronics Group

Our group focusses on low lying energy ordering of conjugated systems to observe their applicability in the field of organic opto-electronics and Current voltage (I-V) characteristics for those molecules to verify their feasibility towards organic miniaturization. We also focusses on bandstructure as a function of isotropic pressure for different materials. Interaction between lone pairs and π* interaction in biomolecules are extensively studied.