Results 241 to 250 of about 102,050 (305)

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

Application of Information Theory to Computer Vision and Image Processing II. [PDF]

open access: yesEntropy (Basel)
Flores-Fuentes W   +3 more
europepmc   +1 more source

A Computational Strategy for Identifying Self‐Assembling Food‐Derived Molecules for Antiparasitic Nanotherapy

open access: yesAdvanced Science, EarlyView.
An integrated computational screening strategy identified ursolic acid (UA) and 18β‐glycyrrhetinic acid (18βGA) as a self‐assembling food‐derived molecular pair. The resulting carrier‐free nanoparticles (UA‐18βGA) showed synergistic antiparasitic activity, reduced combined toxicity, and host‐protective anti‐inflammatory effects in zebrafish and murine ...
Shenye Qu   +8 more
wiley   +1 more source

A Systematic Survey and Benchmark of Deep Learning for Molecular Property Prediction in the Foundation Model Era. [PDF]

open access: yesJ Chem Theory Comput
Li Z   +10 more
europepmc   +1 more source

Schooling Trajectories and the Development of Brain Dynamics: A Comparative Study of Montessori and Traditional Education

open access: yesAdvanced Science, EarlyView.
We investigate whether Montessori and traditional schooling systems shape the developmental trajectory of large‐scale brain dynamics in different ways. We quantify the arrow of time (“non‐reversibility”) in neural activity during resting state and movie‐watching, revealing distinct maturational patterns.
Elvira del Agua   +6 more
wiley   +1 more source

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

open access: yesAdvanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue   +6 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

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