Sustainable Materials Design With Multi‐Modal Artificial Intelligence
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
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
Predicting the Stepwise Growth of Lithium Clusters Around Sulfur Species (S and S<sub>2</sub>) From the Topology of the Electron Localization Function. [PDF]
Alikhani ME.
europepmc +1 more source
Two‐Dimensional Triferroics: From Fundamental Couplings to Multifunctional Applications
This graphic summarizes the three main types of currently reported 2D triferroic couplings. From the structural perspective, existing systems can be broadly classified into two categories, which exhibit distinct symmetry features and coupling behaviors. Beyond the lattice difference, a third type involves the interplay among ferroelectricity, magnetism,
Yang Li, Jialin Gong, Zhiqing Li
wiley +1 more source
Human-Constrained AI-Assisted Identification of Defect-Topology Relations for Mechanical Degradation in Porous Solids: A Discrete-Element Study. [PDF]
Zhang Y, Liu Y, Xie H.
europepmc +1 more source
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
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
Effect of Parametric Variation of Chordae Tendineae Structure on Simulated Atrioventricular Valve Closure. [PDF]
Mangine NR +11 more
europepmc +1 more source
This work provides a practical guide for neuroengineers to design advanced neural interfaces, embracing and tailoring the concept of functional disorder. By bridging 2D and 3D in vitro models, this work highlights how non‐periodic, spatially heterogeneous, multiscale nanotopography can enable more physiologically relevant platforms for studying neural ...
F. Maita +4 more
wiley +1 more source
Hierarchical breakdown of RNA structure prediction in CASP16: from reliable local helices to speculative multimer assembly. [PDF]
Nithin C, Pilla SP, Kmiecik S.
europepmc +1 more source
Harnessing Phase Separation for the Development of High‐Performance Hydrogels
ABSTRACT Hydrogels are indispensable for the development of next‐generation bioelectronics, soft robotics, and biomedical devices, where their mechanical properties determine performance and reliability. Among strategies to enhance hydrogel mechanics, phase separation enables controlled heterogeneity resulting in gel networks that are reinforced by ...
Yue Shao +3 more
wiley +1 more source

