Results 201 to 210 of about 148,309 (314)

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

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

open access: yesAdvanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo   +3 more
wiley   +1 more source

In Situ Contact Angle Measurement for Autonomous Spin Coating in Self‐Driving Labs

open access: yesAdvanced Intelligent Discovery, EarlyView.
A vision‐based add‐on transforms commercial spin coaters into autonomous modules of Self‐Driving Labs. Combining a width‐scaled U‐Net with classical geometric analysis, the system simultaneously measures contact angles and estimates substrate pose using a single camera.
Sven Fischer, Micha Hiegle, Holger Röhm
wiley   +1 more source

Modular Electronic Microrobots With Onboard Sensor‐Program‐Steered Locomotion

open access: yesAdvanced Intelligent Systems, EarlyView.
Modular electronic smartlet microrobots integrate ambient‐light energy harvesting, photodetection, programmable CMOS control, and bubble‐based actuation within a sub‐millimeter fold‐up architecture. A 58‐bit on‐board CMOS chiplet enables sensor–program steered switching between independently addressable actuators, achieving closed‐loop 2D navigation in
Vineeth K. Bandari   +6 more
wiley   +1 more source

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