Results 201 to 210 of about 58,290 (291)
Atomistic Insights into the Molecular Interactions of Rod and Cluster Shaped CdS for Photocatalytic Water Splitting. [PDF]
MoleculesAssilbekova A +7 more
europepmc +1 more source
Harnessing Machine Learning to Understand and Design Disordered Solids
Advanced Intelligent Discovery, EarlyView.This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley +1 more source
Advanced Intelligent Discovery, EarlyView.Phonons‐informed machine‐learning predictive models are propitious for reproducing thermal effects in computational materials science studies. Machine learning (ML) methods have become powerful tools for predicting material properties with near first‐principles accuracy and vastly reduced computational cost.
Pol Benítez +4 more
wiley +1 more source
Advanced Intelligent Discovery, EarlyView.This article outlines how artificial intelligence could reshape the design of next‐generation transistors as traditional scaling reaches its limits. It discusses emerging roles of machine learning across materials selection, device modeling, and fabrication processes, and highlights hierarchical reinforcement learning as a promising framework for ...
Shoubhanik Nath +4 more
wiley +1 more source
A Study on High-Precision Dimensional Measurement of Irregularly Shaped Carbonitrided 820CrMnTi Components. [PDF]
Materials (Basel)Gu X, Zheng D, Li J, Lu H.
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi +2 more
wiley +1 more source
Generative Autoencoders Coupled to Monte Carlo Simulation Allow Efficient Protein Conformation Sampling. [PDF]
J Chem Theory ComputBeránek J, Tedeschi G, Spiwok V.
europepmc +1 more source
Multimodal Learning with Rashomon Analysis for Battery Discharge Capacity Prediction
Advanced Intelligent Discovery, EarlyView.Multimodal fusion integrates composition, crystal‐structure, and radial‐distribution descriptors to predict battery discharge capacity. Rashomon analysis across near‐optimal models reveals that explanatory variation is structured rather than arbitrary, separating stable mechanistic signals from model‐contingent attributions and providing a more ...
Jue Gong +4 more
wiley +1 more source
Electroosmosis and Solute Diffusion Transport of Maxwell Fluid Through a Polyelectrolyte-Grafted Microchannel with Modulated Charged Surfaces. [PDF]
Micromachines (Basel)Shang Y, Li F, Yang C.
europepmc +1 more source
Human‐in‐the‐Loop Object Segmentation for 3D Gaussian Splatting via Finger‐based VR Interface
Advanced Intelligent Systems, EarlyView.This study introduces a human‐in‐the‐loop segmentation framework for 3D Gaussian Splatting that integrates real‐time optimization with intuitive VR‐based finger prompting. Compared with existing automatic, learning‐based methods, it achieves significantly higher accuracy and reduced segmentation time.
Yongseok Lee +5 more
wiley +1 more source