Structure-based simulation of exciton states and excitation transfer dynamics from combined multiscale MD and QMMM simulations to allow rational design
Excitonic properties of natural and organic light harvesting materials
Structure-based simulation of exciton states and excitation transfer dynamics from combined multiscale MD and QMMM simulations to allow rational design.
Computational Photobiology Lab (CPL)
Renato Dias da Cunha
Type of asset:
Characterization of collective electronic exciton states and their dynamics in proteins and organic materials to improve light harvesting efficiency
Structure-based simulation of exciton states using computational chemistry tools
Engineering artificial proteins for light harvesting, Engineering organic optoelectronic materials for photovoltaics
Account for environment effects in determination of excitonic energies and couplings at atomistic level.
Key differentiator 1: atomistic simulation of excitonic properties.
Key differentiator 2: understanding relation among structure and properties to boost design.
Academic groups and companies developing organic photovoltaics
7 Affordable and clean energy
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