Results 251 to 260 of about 107,267 (309)

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

open access: yesAdvanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray   +3 more
wiley   +1 more source

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

open access: yesAdvanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu   +8 more
wiley   +1 more source

Deciphering Short‐Range Order in 2D Transition Metal Dichalcogenides: From Origin to Multi‐Scale Property Modulation

open access: yesAdvanced Science, EarlyView.
Short‐range order in 2D transition metal dichalcogenides is revealed as a new design paradigm. Driven by chemical affinity and atomic size, it governs properties across scales. Weak ordering tunes site‐resolved magnetism and d‐band centers, while strong ordering eliminates gap states to open band gaps.
Hanyu Liu   +3 more
wiley   +1 more source

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

Early seizures and heterogeneity of physiologic recovery in heat-related illness: a nationwide registry study. [PDF]

open access: yesCrit Care
Inukai K   +15 more
europepmc   +1 more source

Dual‐Network Protein Hydrogels Promote Rapid Hemostasis and Immune‐Regulated Scarless Tissue Regeneration

open access: yesAdvanced Science, EarlyView.
A dual‐network protein hydrogel substantially improves hemostasis and scar‐free healing.The adaptive network maintains intimate tissue contact while providing strong wet adhesion, tunable mechanics, and controlled degradation. Concurrent ROS scavenging and M2 polarization suppress fibrotic pathways, preventing scar formation.
Xiaomei Li   +11 more
wiley   +1 more source

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