CORDIS Project
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This project focuses on improving electronic structure methods to model light-induced processes in molecular simulations. By developing advanced techniques based on density functional theory, it aims to enhance the understanding of energy transformations in systems relevant to organic photovoltaics and light-emitting d…
Modeling light-induced processes is a complex task, but understanding and exploiting them enables employing the absorbed energy in transformations.
Yet, no electronic-structure method combines high accuracy with low scaling, limiting the size of the systems investigated in molecular simulations.
This project will advance state-specific methods based on density functional theory (DFT), improve the calculation of the excited-state potential energy surface (PES), and apply them to the direct calcul…
FUNDACION DONOSTIA INTERNATIONAL PHYSICS CENTER
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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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