Results 161 to 170 of about 1,759,166 (246)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Competing Charge Separation Pathways Govern Charge Generation in Organic Photovoltaic Blends: Insights From Transient Electron Spin Resonance

Advanced Energy Materials, EarlyView.
Transient electron spin resonance distinguishes interfacial charge‐transfer states from separated charges, revealing competing charge separation pathways in organic photovoltaic blends. The relative contributions of fast charge separation and a pathway mediated by spin‐polarized charge‐transfer states vary across different blends, with high‐efficiency ...
Jack M. S. Palmer, Claudia E. Tait
wiley   +1 more source

A Unifying Approach to Self‐Organizing Systems Interacting via Conservation Laws

Advanced Intelligent Discovery, EarlyView.
The article develops a unified way to model and analyze self‐organizing systems whose interactions are constrained by conservation laws. It represents physical/biological/engineered networks as graphs and builds projection operators (from incidence/cycle structure) that enforce those constraints and decompose network variables into constrained versus ...
F. Barrows, G. Zhang, S. Anand, Z. Chen, J. Lin, A. Desai, S. Martiniani, F. Caravelli   +7 more
wiley   +1 more source

Explaining the Origin of Negative Poisson's Ratio in Amorphous Networks With Machine Learning

Advanced Intelligent Discovery, EarlyView.
This review summarizes how machine learning (ML) breaks the “vicious cycle” in designing auxetic amorphous networks. By transitioning from traditional “black‐box” optimization to an interpretable “AI‐Physics” closed‐loop paradigm, ML is shown to not only discover highly optimized structures—such as all‐convex polygon networks—but also unveil hidden ...
Shengyu Lu, Xiangying Shen
wiley   +1 more source

Talk to Your Data: An Agentic Artificial Intelligence‐Driven Decision‐Support Framework for Prosumer Energy Optimization and Recommendations

Advanced Intelligent Systems, EarlyView.
An agentic AI‐driven decision‐support framework for prosumers is proposed, integrating PV generation, load profiling, and multihorizon optimization within a four‐agent architecture. The approach significantly reduces grid dependence, enhances self‐sufficiency and prevents system oversizing.
Adela BÂRA, Simona‐Vasilica OPREA
wiley   +1 more source

Overcoming the Phase Discontinuity Problem in RIS Optimization: A Robust and Scalable Phase‐Aware Deep Regression Framework via Hybrid CNN–LSTM Architecture

Advanced Intelligent Systems, EarlyView.
The phase discontinuity problem—where the cyclic nature of phase angles causes catastrophic errors near the ±π boundary—is a fundamental obstacle in learning‐based reconfigurable intelligent surface (RIS) optimization. A phase‐aware hybrid CNN–LSTM framework resolves this by decomposing phase predictions into sine–cosine components, mapping circular ...
Seda Savaşçı Şen, Ali Çalhan, Murtaza Cicioğlu, Oğuzhan Demiryürek   +3 more
wiley   +1 more source

Robust Representation Learning for Clean Feature Discovery in Incomplete Multi‐View Clustering

Advanced Intelligent Systems, EarlyView.
Robust feature discovery in incomplete multi‐view clustering is achieved by coupling RPCA‐based clean representation recovery with neural‐network‐assisted graph learning. The resulting RIMVC framework constructs cleaner and more discriminative graph‐structured representations from incomplete and noisy multi‐view data, improving clustering robustness ...
Ping Hu, Chenggang Lu, Rui Zhang, Haijun Yan, Yesong Xu   +4 more
wiley   +1 more source

Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy

Advanced Intelligent Systems, EarlyView.
This review systematically details how machine learning transforms X‐ray absorption spectroscopy (XAS) analysis. It covers advanced deep learning architectures for structure‐spectra mapping and inverse tasks, while discussing key challenges like the simulation‐to‐reality gap.
Melaku Lake Tegegne, Haodong Yao, Liyuan Wu, Yihe Pang, Fazhi Qi, Lina Zhao   +5 more
wiley   +1 more source

Scaffold‐Free Living Cellular Structure With Omnidirectional Architectures

Advanced NanoBiomed Research, EarlyView.
Hydrogel lumen confinement enables the direct formation of mechanically stable, scaffold‐free cellular filaments under entirely aqueous, phototoxicity‐free conditions. These processable living building blocks support omnidirectional assembly into complex three‐dimensional architectures, providing a simple and versatile platform for scaffold‐free ...
Jing Ma, Shanshan Zhang, Xiaokang Deng, Cheng Qi, Haifeng Dong, Zhou Liu, Si Meng, Tiantian Kong   +7 more
wiley   +1 more source

In Vivo Nb4C3Tx MXene‐Assisted Photothermal Therapy of Melanoma in Mice

Advanced NanoBiomed Research, EarlyView.
Nb4C3Tx MXene converts pulsed 1064 nm irradiation into localized heat, producing concentration‐ and time‐dependent melanoma cell killing in vitro and suppressing tumor growth in mice. Histology reveals extensive tumor damage, macrophage‐associated material clearance, and no detectable persistent deposits in examined visceral organs, supporting Nb4C3Tx ...
Anton Roshchupkin, Benjamin Chacon, Gulnaz Gahramanova, Inna Chorna, Zhanna Klishchova, Anastasia Konieva, Ilya Yanko, Andrii Liutyi, Milena Yalyzhko, Ivan Baginskiy, Veronika Zahorodna, Júlio Sílvio de Sousa Bueno Filho, Erfan Rezvani Ghomi, Igor Panko, Tetiana Shapochka, Oksana Sulaieva, Oleksandr Solodovnyk, Lucia Gemma Delogu, Oleksiy Gogotsi, Laura Fusco, Sergiy Kyrylenko, Yury Gogotsi, Maksym Pogorielov   +22 more
wiley   +1 more source