Results 211 to 220 of about 177,158 (279)

Toward a Rational Design of Conjugated Copolymers with Oxygenated Side Chains for Boosting Thermoelectric Properties

Advanced Energy Materials, EarlyView.
The molecular design strategy that integrates both side chain and backbone engineering in diketopyrrolopyrrole‐based conjugated polymers to identify the optimal balance between doping efficiency and microstructural order is demonstrated. Comprehensive spectroscopic, electrochemical, morphological, and structural characterizations reveal that the ...
Taewoong Han, Suhui Sim, Hoimin Kim, Taewoong Yoon, Hyungju Ahn, Seungjoo Chang, Namgyu Park, Hajeong Kim, Shabaz Alam, Dongki Lee, Sungjun Park, Sungjoo Lee, Jaewon Lee, Boseok Kang   +13 more
wiley   +1 more source

Stabilizing Magnesium Anodes in Rechargeable Magnesium Batteries via Fluorinated Cyclic Ether Electrolyte Additive

Advanced Energy Materials, EarlyView.
A fluorinated cyclic ether, FDOL, is shown to stabilize Mg metal anodes by tuning Mg2+ solvation of the G2 electrolyte. The G2‐FDOL electrolyte suppresses passivation and thick, diffusion‐blocking Mg deposits, enabling more uniform Mg plating/stripping and sustained interfacial reactions.
Hafiz Ahmad Ishfaq, Andrijana Marojević, Carolina Cruz Cardona, Gregor Kapun, Elena Tchernychova, Olivera Lužanin, Jan Bitenc, Miran Gaberšček, Robert Dominko, Sara Drvarič Talian   +9 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

AI in chemical engineering: From promise to practice

AIChE Journal, EarlyView.
Abstract Artificial intelligence (AI) in chemical engineering has moved from promise to practice: physics‐aware (gray‐box) models are gaining traction, reinforcement learning complements model predictive control (MPC), and generative AI powers documentation, digitization, and safety workflows.
Jia Wei Chew, Ronnie Andersson, Thomas Bierweiler, Patrik Ryttestal, Torsten Wik   +4 more
wiley   +1 more source

Decoding Tattoo and Permanent Makeup Pigments: Linking Physicochemical Properties to Absorption, Distribution, Metabolism, and Elimination Profiles Using Quantitative Structure–Activity Relationship (QSAR)‐Based New Approach Methodologies (NAMs)

Advanced Intelligent Discovery, EarlyView.
This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod, Ajay Vikram Singh, Preeti Bhardwaj, Tulika Rai, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Peter Laux, Andreas Luch, Christopher J. Osgood, Michael W. Stacey   +10 more
wiley   +1 more source

Harnessing Large Language Models to Advance Microbiome Research: From Sequence Analysis to Clinical Applications

Advanced Intelligent Discovery, EarlyView.
Large language models are transforming microbiome research by enabling advanced sequence profiling, functional prediction, and association mining across complex datasets. They automate microbial classification and disease‐state recognition, improving cross‐study integration and clinical diagnostics.
Jieqi Xing, He Wang, Yangyang Sun, Xiaoquan Su, Shunyao Wu   +4 more
wiley   +1 more source

Artificial Intelligence‐Driven Insights into Electrospinning: Machine Learning Models to Predict Cotton‐Wool‐Like Structure of Electrospun Fibers

Advanced Intelligent Discovery, EarlyView.
Electrospinning allows the fabrication of fibrous 3D cotton‐wool‐like scaffolds for tissue engineering. Optimizing this process traditionally relies on trial‐and‐error approaches, and artificial intelligence (AI)‐based tools can support it, with the prediction of fiber properties. This work uses machine learning to classify and predict the structure of
Paolo D’Elia, Giovanna Pappalardo, Aldo R. Boccaccini, Liliana Liverani   +3 more
wiley   +1 more source

CrossMatAgent: AI‐Assisted Design of Manufacturable Metamaterial Patterns via Multi‐Agent Generative Framework

Advanced Intelligent Discovery, EarlyView.
CrossMatAgent is a multi‐agent framework that combines large language models and diffusion‐based generative AI to automate metamaterial design. By coordinating task‐specific agents—such as describer, architect, and builder—it transforms user‐provided image prompts into high‐fidelity, printable lattice patterns.
Jie Tian, Martin Taylor Sobczak, Dhanush Patil, Jixin Hou, Lin Pang, Arunachalam Ramanathan, Libin Yang, Xianyan Chen, Yuval Golan, Xiaoming Zhai, Hongyue Sun, Kenan Song, Xianqiao Wang   +12 more
wiley   +1 more source

Limitations of Foundation Models in Energy Materials Simulations: A Case Study in Polyanion Sodium Cathode Materials

Advanced Intelligent Discovery, EarlyView.
Several simulation techniques are used to explore static and dynamic behavior in polyanion sodium cathode materials. The study reveals that universal machine learning interatomic potentials (MLIPs) struggle with system‐specific chemistry, emphasizing the need for tailored datasets.
Martin Hoffmann Petersen, Chiku Parida, Jonas Busk, Jin Hyun Chang, Arghya Bhowmik, Juan Maria Garcia Lastra   +5 more
wiley   +1 more source