Results 181 to 190 of about 336,714 (315)

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

open access: yesAdvanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia   +1 more
wiley   +1 more source

Bayesian Exploration of Metal‐Organic Framework‐Derived Nanocomposites for High‐Performance Supercapacitors

open access: yesAdvanced Intelligent Discovery, EarlyView.
An AI‐assisted approach is introduced to decode synthesis–performance relationships in metal‐organic framework‐derived supercapacitor materials using Bayesian optimization and predictive modeling, streamlining the search for optimal energy storage properties.
David Gryc   +8 more
wiley   +1 more source

Comparison of machine learning models for hemoglobin prediction in patients undergoing maintenance hemodialysis. [PDF]

open access: yesFront Mol Biosci
Xie T   +10 more
europepmc   +1 more source

Advances in Thermal Modeling and Simulation of Lithium‐Ion Batteries with Machine Learning Approaches

open access: yesAdvanced Intelligent Discovery, EarlyView.
Heat generation in lithium‐ion batteries affects performance, aging, and safety, requiring accurate thermal modeling. Traditional methods face efficiency and adaptability challenges. This article reviews machine learning‐based and hybrid modeling approaches, integrating data and physics to improve parameter estimation and temperature prediction ...
Qi Lin   +4 more
wiley   +1 more source

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