Results 211 to 220 of about 371,316 (301)

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

AI‐Assisted Digital Single‐Molecule Activity Tracker for Decoupling Intrinsic Heterogeneity from Photo‐Oxidative Damage in High‐Photon‐Flux Enzymology

Advanced Science, EarlyView.
Employing a digital single‐molecule activity tracker (dSMAT), this research demonstrates that high‐photon‐flux irradiation drives progressive oxidative scarring in polymerases. Unlike simple thermal denaturation, real‐time kinetic tracking dynamically visualizes enzymes degrading into multiple impaired subpopulations.
Anran Zheng, Qi Yang, Jinze Li, Fuqiang Ma, Xuefeng Wang, Zhen Guo, Chuanyu Li, Dongshu Li, Jia Yao, Zhiqi Zhang, Wei Zhang, Lianqun Zhou   +11 more
wiley   +1 more source

Terahertz Channel Modeling, Estimation and Localization in RIS‐Assisted Systems

Advanced Electronic Materials, EarlyView.
Reconfigurable intelligent surfaces have become a recent intensive research focus. Based on practical applications, channel strategies for RIS‐assisted terahertz wireless communication systems are categorized into three different types: channel modeling, channel estimation, and channel localization.
Hongjing Wang, Weipeng Wang, Xuan Cong, Shiyu Wang, Gao Li, Sen Gong, Lin Huang, Hongxin Zeng, Yaxin Zhang, Ziqiang Yang   +9 more
wiley   +1 more source

Machine Learning‐Assisted Design and Performance Prediction of a Compact Dual‐Band Polarization‐Insensitive THz Metamaterial Absorber for Skin‐Cancer‐Related Refractive‐Index Sensing

Advanced Electronic Materials, EarlyView.
A compact QASRR‐based THz metamaterial absorber enables polarization‐insensitive dual‐band absorption and skin‐cancer‐related refractive‐index sensing through measurable resonance shifts. Field, surface‐current, and circuit analyses clarify the dual‐resonance mechanism, while StackNet‐assisted prediction accurately estimates the simulated absorption ...
Md. Murad Kabir Nipun, S. M. Rifatur Rana, Md. Golam Morshed, Imrose Jahan, F. A. Sabbir Ahamed, Md. Jahedul Islam   +5 more
wiley   +1 more source

Integrating Automated Electrochemistry and High‐Throughput Characterization with Machine Learning to Explore Si─Ge─Sn Thin‐Film Lithium Battery Anodes

Advanced Energy Materials, Volume 15, Issue 11, March 18, 2025.
A closed‐loop, data‐driven approach facilitates the exploration of high‐performance Si─Ge─Sn alloys as promising fast‐charging battery anodes. Autonomous electrochemical experimentation using a scanning droplet cell is combined with real‐time optimization to efficiently navigate composition space.
Alexey Sanin, Jackson K. Flowers, Tobias H. Piotrowiak, Frederic Felsen, Leon Merker, Alfred Ludwig, Dominic Bresser, Helge Sören Stein   +7 more
wiley   +1 more source

Assessing Mesoscale Heterogeneities in Hard Carbon Electrodes Through Deep Learning‐Assisted FIB‐SEM Characterization, Manufacturing and Electrochemical Modeling

Advanced Energy Materials, EarlyView.
A combination of discrete and finite element method models for the current collector deformation and electrochemical performance analysis, respectively. The models are calibrated and validated with electrochemical and imaging data of hard carbon electrodes. These electrodes were manufactured with different parameters (slurry solid contents of 35 and 40
Soorya Saravanan, Imelda Cardenas‐Sierra, Pei Sun, Hari Raj, Daniele Duranti, Mahnoor Nafees, Edoardo Rossi, Marco Sebastiani, Paul Vigneaux, Martin Petit, Maxime Moreaud, Francisco Fernandez, Alejandro A. Franco   +12 more
wiley   +1 more source

Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories

Advanced Energy Materials, EarlyView.
In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen, Zheyu Zhang, Kelvian T. Mularso, Bonghyun Jo, Hyun Suk Jung   +4 more
wiley   +1 more source

Disorder‐Driven Fast Na+ Transport: From Crystalline to Amorphous Networks in the Mixed‐Anion NaTaOxCl6−2x Oxychlorides

Advanced Energy Materials, EarlyView.
Oxygen substitution in NaTaOxCl6‐2x drives structural evolution from isolated [TaCl6]– octahedra, through oxygen‐bridged [Ta2OCl10]2– dimers, toward extended trans‐[TaO2Cl4]3– chain‐like arrangements. At intermediate compositions, zero‐dimensional corner‐sharing motifs are proposed to create a flexible, disordered framework that peaks ionic ...
Justin Leifeld, Abigail C. Parsons, Alexandra Morscher, Xabier Martinez de Irujo‐Labalde, Marvin A. Kraft, Oskar G. Soulas, Bibek Samanta, Wiebke Zielasko, Neelam Yadav, Kyra Strotmann, Niina Jalarvo, Bruno V. M. Rodrigues, Adam Slabon, Philipp Adelhelm, Michael Ryan Hansen, David O. Scanlon, Wolfgang G. Zeier, Alexander G. Squires   +17 more
wiley   +1 more source

Honorary Lecture on S. James Press and Bayesian Analysis

S. James Press's many contributions to statistical research, lecturing, mentoring students, the statistics profession, etc. are summarized. Then some new developments in Bayesian analysis are described and remarks on the future of Bayesian analysis are ...
Arnold Zellner
core  

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