Results 221 to 230 of about 17,558 (314)

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

Connectivity Labeling in Faulty Colored Graphs. [PDF]

open access: yesDistrib Comput
Petruschka A, Sapir S, Tzalik E.
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

3D‐Printed Metal‐Supported MOF‐Heteropoly Acid Nanozyme for High‐Performance Peroxidase‐Mimic Activity and Ultra‐Sensitive Glucose Detection

open access: yesAdvanced Science, EarlyView.
A hierarchically structured Fe‐BTC‐PMA immobilized 3D‐printed platform is engineered as a robust artificial enzyme for colorimetric glucose sensing. The hybrid architecture efficiently activates H2O2 to drive TMB oxidation. This integrated system enables sensitive, reusable, and scalable detection with enhanced catalytic stability and analytical ...
Paramita Koley   +10 more
wiley   +1 more source

Unifying Composition and Process Design: A Heterogeneous Graph Neural Network for Discovering High‐Performance Cu Alloys

open access: yesAdvanced Science, EarlyView.
By overcoming the fixed‐path limitations of conventional machine learning, a heterogeneous graph neural network fundamentally reconstructs material data representation. Integrating variable processing sequences with intrinsic elemental features, this framework enables exploratory optimization across high‐dimensional spaces.
Jie Yin   +12 more
wiley   +1 more source

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

open access: yesAdvanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan   +8 more
wiley   +1 more source

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