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Horizon 2020

The Framework Programme has proven to be an effective instrument for promoting R&D&I in Europe and represents a great opportunity for the internationalisation of UPV/EHU research and innovation.

Horizon 2020 had the challenge of contributing to the achievement of the objectives established in the Europe 2020 Strategy and the creation of the European Research Area, objectives that are endorsed by the European States and regions.

Detailed information about the programme can be found here.

Additional information

Horizon 2020 Projects

AccuCT: Accurate characterization of charge-transfer excited states

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Specific programme: Marie Sklodowska-Curie Individual Fellowships (IF) - Global Fellowship

UPV/EHU Partner Status: Beneficiary
UPV/EHU Supervisor: Eduard Matito

Project start: 04/01/2016
Project end: 03/01/2019

Brief description: Charge transfer (CT) processes play an important role in photosensitizers and photocatalytic reactions that have found great potential in solar energy conversion and enviromental remediation. Density Functional Theory (DFT) is the archetype method to perform all kind of computational simulations due to its favorable combination of efficiency and accuracy. CT processes are among the most difficult challenges for DFT and currently a reliable, efficient and size-extensive method is missing. The goal of this project is developing a new family of long-range corrected density functionals for the quantitative description of CT excited states that also achieves better global performance of other properties. The current approach employs a physically sound strategy based on using density-related properties to construct attenuating functions, avoiding the undesirable biases produced by parameter fitting. By correcting CT description, the new functionals hold the promise to extend its applicability to a wider range of properties and pave the way towards the development of all-purpose functionals.