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Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

open access: yesAdvanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu   +5 more
wiley   +1 more source

Techno-economic and environmental evaluations of a solar thermal-assisted chiller facility in hot desert climates. [PDF]

open access: yesSci Rep
Kriaa K   +7 more
europepmc   +1 more source

Modeling freshwater yield: deep learning applications in seawater greenhouses in Iran. [PDF]

open access: yesSci Rep
Barzigar A   +4 more
europepmc   +1 more source

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