CORDIS Project
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The project NEXUS aims to develop a novel computational framework to model excited electronic states in organic molecules, enhancing our understanding of energy conversion processes in applications like photosynthesis and solar energy. By leveraging saddle point search strategies and ultrafast X-ray techniques, it seek…
The dynamics of charges and atoms when electrons are excited to energy levels above the ground state underpins energy conversion in photosynthesis, photocatalysis and solar cell technologies.
Modelling excited electronic states remains however a major challenge.
While density functional theory (DFT) has been hugely successful in predicting ground state properties of systems with several atoms and electrons, excited state extensions based on time-dependent formulations often lack the required acc…
UNIVERSITA DEGLI STUDI DI TRIESTE
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Iceland, Reykjavik
Type: University / higher education
Activity type: Higher or Secondary Education Establishments
SME: No
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