INFIQC 05475
INSTITUTO DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Electron dynamics in complex environments with real-time timed dependent density functional tight binding
Autor/es:
CRISTIAN GABRIEL SANCHEZ
Lugar:
Bremen
Reunión:
Workshop; CECAM-Workshop "Development next generation accurate approximate DFTB methods"; 2015
Institución organizadora:
CECAM
Resumen:
Using an in house GPU parallel implementation of real time TD DFTB we have managed to simulate a variety of time dependent phenomena induced by laser illumination in several important systems. In this talk I will focus on presenting results on atomistic simulations of energy transfer in photosynthetic antenna complexes, light induced charge transfer processes in dye semiconductor nanoparticle complexes and dye doped perylene diimide molecular arrangements.
