Results 191 to 200 of about 211,439 (278)

Factorization Machine‐Based Active Learning for Functional Materials Design with Optimal Initial Data

open access: yesAdvanced Intelligent Discovery, EarlyView.
This work investigates the optimal initial data size for surrogate‐based active learning in functional material optimization. Using factorization machine (FM)‐based quadratic unconstrained binary optimization (QUBO) surrogates and averaged piecewise linear regression, we show that adequate initial data accelerates convergence, enhances efficiency, and ...
Seongmin Kim, In‐Saeng Suh
wiley   +1 more source

Thermoelectric Generators: Function, Applications, and Future Implementation

open access: yes
Thermoelectric generators have the ability to create electricity when a temperature gradient is created across a thermoelectric material that has high electrical conductivity, and low thermal conductivity.
Estrada, Robert   +6 more
core  

Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers

open access: yesAdvanced Intelligent Discovery, EarlyView.
A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley   +1 more source

Harnessing Digital Microstructure for Simulation‐Guided Optimization of Permanent Magnets

open access: yesAdvanced Intelligent Discovery, EarlyView.
An experimental‐to‐computational workflow is presented that transforms experimental 3D focused ion beam‐scanning electron microscopy data into a simulation‐ready digital microstructure for multiphase functional materials. Using heavy‐rare‐earth‐free Nd–Fe–B magnets as a model system, the approach quantifies grain connectivity across complex secondary ...
Nikita Kulesh   +4 more
wiley   +1 more source

Magnesium‐Retention Assisted Synthesis of High‐Performance Zintl Thermoelectrics

open access: yesAngewandte Chemie, EarlyView.
Mg volatilization and chemical instability during high‐temperature synthesis hinder the scalable fabrication of Mg‐based thermoelectrics. Here, a magnesium‐retention assisted synthesis (MRAS) strategy stabilizes Mg using a sacrificial Mg reservoir and an inert‐gas‐regulated melting environment.
Boxuan Hu   +9 more
wiley   +2 more sources

A Critical Assessment of Bonding Descriptors for Predicting Materials Properties

open access: yesAdvanced Intelligent Discovery, EarlyView.
The impact of new bonding descriptors in machine learning models for predicting material properties is assessed. Improvements are validated using significance tests, and new, intuitive descriptors for screening lattice thermal conductivity and projected force constants are introduced.
Aakash Ashok Naik   +6 more
wiley   +1 more source

Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers

open access: yesAdvanced Intelligent Systems, EarlyView.
Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica   +38 more
wiley   +1 more source

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