Results 191 to 200 of about 85,292,855 (237)

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

Advanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

Multiferroic‐Centric Materials and Systems Engineering for Battery Applications: An Insight Into Mechanisms, Strategies, and Characterizations

Advanced Science, EarlyView.
Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su, Yanda Zhu, Hao Peng, Manman Li, Xuzihan Zhang, Meixiao Wu, Siyuan Zhang, Yuhan Zeng, Jiwen Liao, Ming Luo, Hetaishan Huang, Yutong Wang, Sean Li, Wenxian Li   +13 more
wiley   +1 more source

Luminescence properties of fluoride laser crystals: a joint prediction model based on universal atomic embedded graph neural networks and transfer learning. [PDF]

RSC Adv
Jia B, Liang J, Zhong G, Rong Z, He Z, Wu C, Wang S, Guo J, Wang Y.   +8 more
europepmc   +1 more source

Learning Moisture‐Induced Damage From Vision: Diffusion Models for Real‐Time Monitoring of Additive Manufacturing Processes

Advanced Science, EarlyView.
We introduce a vision‐based real‐time monitoring system for additive manufacturing that detects subtle moisture‐induced degradation via a diffusion model‐based framework. The approach enables nondestructive assessment of moisture‐induced damage level and mechanical performance and establishes a practical route toward more intelligent, reliable, and ...
Jiyoung Jung, Yuna Yoo, Dharneedar Ravichandran, Dahyun Daniel Lim, Grace X. Gu   +4 more
wiley   +1 more source

Beyond predictive accuracy: A case for mechanism-informed, uncertainty-aware machine learning in food microbiology. [PDF]

iScience
Ezzaky Y, Yap EEL, Chen WN.
europepmc   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

Advanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

From Levin's Universal Search to Policy-Guided Tree Search. [PDF]

Entropy (Basel)
Li M.
europepmc   +1 more source

A Versatile‐Designable Framework for Active and Programmable Shape‐Morphing Soft Matter Systems: From Inverse Design to Closed‐Loop Control

Advanced Science, EarlyView.
A versatile framework integrates addressable electrothermal actuation and strain‐constraint mechanisms to construct programmable shape‐morphing soft matter systems. By combining an analytical inverse design strategy for high‐fidelity 3D surface reconstruction with deep learning‐based closed‐loop control, this approach enables zero‐energy shape locking,
Kai Liu, Peiling Xie, Ruitong Song, Banghan Liu, Rui Guo, Jiu‐an Lv   +5 more
wiley   +1 more source

Social-emotional competencies and health-related outcomes of health promotion in upper secondary education: a scoping review of German-speaking countries. [PDF]

Front Psychol
Kerzendorfer-Breithardt M.
europepmc   +1 more source

Halide Perovskite: A Rich Source of Thermal Insulator

Advanced Science, EarlyView.
Halide perovskites exhibit ultralow thermal conductivity driven by intrinsic lattice softness and strong anharmonicity, falling below conventional defect‐engineering limits. Weak metavalent bonding, A‐site rattling, and dynamic octahedral tilting drive phonon scattering to the Ioffe–Regel limit, where wave‐like tunneling replaces particle‐like ...
Haolin Ye, Bangzhi Ge, Yuan Yu, Chongjian Zhou   +3 more
wiley   +1 more source