Results 171 to 180 of about 97,140 (256)

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

open access: yesAdvanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano   +5 more
wiley   +1 more source

Deep Learning Inverse Design of Phase‐Change Reconfigurable Terahertz Metadevices for Multidimensional Secure Communication

open access: yesAdvanced Materials, EarlyView.
A deep learning inverse‐design framework is established to create versatile reconfigurable terahertz metadevices. By synergizing deep learning with phase‐change materials, this approach enables on‐demand customization of multidimensional electromagnetic responses.
Yisheng Dong   +11 more
wiley   +1 more source

Oppositely Charged Single Enzyme Nanogels Form Versatile Coacervates for Efficient Enzyme Cascade Catalysis

open access: yesAdvanced Materials, EarlyView.
Oppositely charged single enzyme nanogels (SENs) phase‐separate into bi‐enzymatic coacervate microdroplets, acting as both scaffold and functional units. By tuning SEN ratios, these coacervates create specific microenvironments that enable selective small‐molecule enrichment and efficient intermediate diffusion.
Andoni Rodriguez‐Abetxuko   +11 more
wiley   +1 more source

Ferroelectric Dynamic‐Field‐Driven Nucleation and Growth Model for Predictive Materials‐To‐Circuit Co‐Design

open access: yesAdvanced Materials, EarlyView.
This study presents a compact dynamic‐field‐driven nucleation and growth (DFNG) model that captures ferroelectric switching behavior under arbitrary voltage waveforms. It enables extraction of time‐dependent domain wall velocity and growth dimensionality, which can then be extended to device‐level modeling.
Yi Liang   +10 more
wiley   +1 more source

E. coli Extracellular Matrix: A Tunable Composite With Hierarchical Structure

open access: yesAdvanced Materials, EarlyView.
The complex composite‐like mechanical behavior of E. coli biofilm matrix is the result of a synergic contribution of the rigid curli and swelling pEtN‐cellulose, and emerges from specific ratio and assembly conditions. The interactions between the two fibers govern biofilm hydration and characteristic wrinkling patterns, providing crucial insights for ...
Macarena Siri   +7 more
wiley   +1 more source

Tracking Performance Limits Using Multi-Timescale Maximal Mean Power Ratios. [PDF]

open access: yesEur J Sport Sci
Zignoli A   +5 more
europepmc   +1 more source

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