CORDIS Project
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This project aims to improve the understanding of charge-transfer states in photosynthesis and photovoltaic materials. It focuses on developing a computational method to solve the Bethe-Salpeter equation, enhancing the simulation of optical properties in complex systems.
Optically exited charge-transfer states play a crucial role in the early stages of photosynthesis but are notoriously difficult to describe efficiently with first-principles computational techniques.
This difficulty not only limits the current understanding of the detailed atomistic processes in photosynthesis but is also an obstacle in simulating novel designs of photovoltaic materials that are based on organic absorbers.
Current first-principles techniques for electronic excitations suffer ei…
UNIVERSIDAD DEL PAIS VASCO/ EUSKAL HERRIKO UNIBERTSITATEA
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