CORDIS Project
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This project develops new density functionals to improve the description of charge transfer processes in computational simulations. It aims to enhance the accuracy of predicting excited states and other properties relevant to solar energy conversion and environmental remediation.
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 goa…
UNIVERSIDAD DEL PAIS VASCO/ EUSKAL HERRIKO UNIBERTSITATEA
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LOS ANGELES UCLA SANTA BARBARA UCSB DAVIS UCD RIVERSIDE UCR SAN DIEGO UCSD SANTA CRUZ UCSC IRVIN
United States, Berkeley
Type: University / higher education
Activity type: Higher or Secondary Education Establishments
SME: No
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