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Dynamical processes in open quantum systems: pushing the frontiers of theoretical spectroscopy

Objective

"Scope ""Energy Materials. In this project we develop new concepts for building a novel theoretical framework (the ab-initio non-equilibrium dynamical modelling tool”) for understanding, identifying, and quantifying the different contributions to energy harvesting and storage as well as describing transport mechanisms in natural light harvesting complexes, photovoltaic materials, fluorescent proteins and artificial (nanostructured) devices by means of theories of open quantum systems, non-equilibrium processes and electronic structure. We address cutting-edge applications along three major scientific challenges: i) characterize matter out of equilibrium, ii) control material processes at the electronic level and tailor material properties, iii) master energy and information on the nanoscale. The long-term goal is developing a set of theoretical tools for the quantitative prediction of energy transfer phenomena in real systems.
We will provide answers to the following questions: What are the design principles from the environment-assisted quantum transport in photosynthetic organisms that can be transferred to nanostructured materials such as organic photovoltaic materials and biomimetic materials? What are the fundamental limits of excitonic transport properties such as exciton diffusion lengths and recombination rates? What is the role of quantum coherence in the energy transport in photosynthetic complexes and photovoltaic materials? What is the role of spatial confinement in water and proton transfer through porous membranes (nano-capillarity)?
The ground-breaking nature of the project lies in being the first systematic development and application of the theories of open quantum systems and quantum optimal control within an ab-initio framework (time-dependent-density functional theory). The project will open new methodological, applicative and theoretical horizons of research."

Call for proposal

ERC-2010-AdG_20100224
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Host institution

UNIVERSIDAD DEL PAIS VASCO/ EUSKAL HERRIKO UNIBERTSITATEA
Address
Barrio Sarriena S N
48940 Leioa
Spain

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Activity type
Higher or Secondary Education Establishments
Administrative Contact
Ione Isasa (Ms.)
Principal investigator
Angel Secades Rubio (Prof.)
EU contribution
€ 1 877 497

Beneficiaries (1)

UNIVERSIDAD DEL PAIS VASCO/ EUSKAL HERRIKO UNIBERTSITATEA
Spain
EU contribution
€ 1 877 497
Address
Barrio Sarriena S N
48940 Leioa

See on map

Activity type
Higher or Secondary Education Establishments
Administrative Contact
Ione Isasa (Ms.)
Principal investigator
Angel Secades Rubio (Prof.)