Results 231 to 240 of about 709,306 (283)

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

Superatom Distortion Induces Triferroicity and Spin Splitting in Two‐Dimensional Antiferromagnets

open access: yesAdvanced Science, EarlyView.
The incorporation of superatoms into a 2D square lattice induces symmetry breaking, thereby enabling concurrent coupling among magnetism, ferroelectricity, and ferroelasticity. This strategy achieves triferroic behavior—characterized by spin‐split antiferromagnetic ground states—and offers a viable pathway toward energy‐efficient spintronic devices ...
Zhen Gao   +6 more
wiley   +1 more source

A textual dataset of de-identified health records in Spanish and Catalan for medical entity recognition and anonymization. [PDF]

open access: yesSci Data
Lima-López S   +7 more
europepmc   +1 more source

Generative named entity recognition framework for Chinese legal domain. [PDF]

open access: yesPeerJ Comput Sci
Mao X   +5 more
europepmc   +1 more source

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