Advanced 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
Radical‐Mediated Dispersion Breaks Aggregation Limits in Carbon Thermoelectrics
Angewandte Chemie, EarlyView.We report a rationally designed small molecule (OTN) that effectively disperses SWCNTs via π–π and radical‐radical interactions, yielding hybrid films with a record power factor of 30.1 µW cm−1 K−2 and excellent flexibility. A nine‐leg device achieves a record normalized power density of 0.653 µW cm−2 K−2, setting a new benchmark for carbon‐based ...
Shanshan Zhou +9 more
wiley +2 more sources
Thermoelectric Generator Based on Kesterite (Cu<sub>2</sub>ZnSnS<sub>4</sub>) Synthesized via Sol-Gel Method. [PDF]
Materials (Basel)Tarhouni A +8 more
europepmc +1 more source
Advanced 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
Enhancement of photovoltaic and thermoelectric properties of A-site doped A<sub>3-<i>x</i></sub> A' <sub><i>x</i></sub> IO (A/A'=K, Rb, Cs) anti-perovskites with room temperature phonon stabilization: a DFT and molecular dynamics study. [PDF]
RSC AdvUddin K, Sayem Rahman ASM.
europepmc +1 more source
Harnessing Digital Microstructure for Simulation‐Guided Optimization of Permanent Magnets
Advanced 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
First-principles insights into the structural stability, spin-polarized electronic structure, and multifunctional properties of actinide antimonides U<sub>3</sub>TSb<sub>5</sub> [T = Cr, Mn, Ti, and V]. [PDF]
RSC AdvKumar A.
europepmc +1 more source
A Critical Assessment of Bonding Descriptors for Predicting Materials Properties
Advanced 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
An <i>n</i>-Type Ionic Thermoelectric Device Enabled by Synergistic Interactions Between Electrodes and PVA Hydrogel. [PDF]
Materials (Basel)Ye C, Shan X.
europepmc +1 more source
AI &Innovation, EarlyView.ABSTRACT The rapid evolution of the Internet of Things (IoT) has significantly advanced the field of electrocardiogram (ECG) monitoring, enabling real‐time, remote, and patient‐centric cardiac care. This paper presents a comprehensive survey of AI assisted IoT‐based ECG monitoring systems, focusing on the integration of emerging technologies such as ...
Amrita Choudhury +2 more
wiley +1 more source