Institution:
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.
Research Group:
Computational Photobiology Lab (CPL)
Researcher/s:
Carles Curutchet
Renato Dias da Cunha
Description:
Type of asset:
Service
Category:
Life Sciences
Problem:
Characterization of collective electronic exciton states and their dynamics in proteins and organic materials to improve light harvesting efficiency
Solution:
Structure-based simulation of exciton states using computational chemistry tools
Aplication areas:
Engineering artificial proteins for light harvesting, Engineering organic optoelectronic materials for photovoltaics
Novelty:
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.
Protection:
Know-how
Target market:
Academic groups and companies developing organic photovoltaics
TRL: 3
CRL: 1
BRL: 1
IPRL: 1
TmRL: 2
FRL: 3
Impacted SDGs:
7 Affordable and clean energy
More information
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