CORDIS Project
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This project aims to create a new computational method for studying large heterogeneous systems, focusing on molecular and organic electronics and photovoltaics. It proposes a novel approach to density functional theory that emphasizes system-specific parameters, enhancing accuracy and applicability in materials scienc…
I propose to develop a broadly applicable, quantitatively reliable, computationally simple approach to the study of large heterogeneous systems, and to apply it to important problems in molecular and organic electronics and photovoltaics.
This will be based on a radically different approach to the development and application of density functional theory (DFT) - determining an optimally yet non-empirically tuned system-specific functional, instead of seeking a universally applicable one.Large het…
WEIZMANN INSTITUTE OF SCIENCE
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