The Importance of Metal‐Organic Framework Linker Atoms for CO2 Reduction: A DFT Study
Advanced Science, EarlyView.Using DFT, we examine the role of linker atoms in CO2 reduction on copper‐based metal organic frameworks (Cu MOFs). Our calculations reveal that linker atoms may serve as both CO2 and H‐shuttling sites and suggest linker electrostatics as a descriptor for linker activity. ABSTRACT Although the metal within the secondary building unit of a metal‐organic
Ugochukwu Nwosu, Samira Siahrostami
wiley +1 more source
Towards Collaborative Autonomous Operations in Power Infrastructure: A Robotic Fine Manipulation Framework. [PDF]
Sensors (Basel)Xu G, Dong Y.
europepmc +1 more source
Sustainable Materials Design With Multi‐Modal Artificial Intelligence
Advanced 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
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CASCADE: criticality avalanche spike cross-platform analysis detection engine, a multi-manufacturer MEA bash analysis pipeline. [PDF]
BioinformaticsAvila F +5 more
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Advanced Science, EarlyView.First‐principles calculations reveal that monolayer In2O${\rm In}_2{\rm O}$ hosts type‐II Dirac fermions near the Fermi level, which split into Weyl points under spin‐orbit coupling. The material exhibits negative and giant magnetoresistance, a pronounced spin Hall effect, and phonon‐mediated superconductivity at 1.5 K, establishing it as a unique ...
Qing‐Bo Liu +6 more
wiley +1 more source
From Simulation to Semi-Physical Validation: An Intelligent Jammer-Assisted Radar Anti-Jamming Evolution Method. [PDF]
Sensors (Basel)Xie F, Liu H, Wang J, Pei B, Li J.
europepmc +1 more source
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
Advanced 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
A proposal of good manufacturing practices (GMP) laboratory for CAR T-cell therapy in Latin America and the Caribbean: challenges and opportunities. [PDF]
Front Public HealthCabrera-Salcedo SC +16 more
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ON CERTAIN PROPERTIES OF MODULAR CONVERGENCE
ON CERTAIN PROPERTIES OF MODULAR CONVERGENCEopenaire +1 more source