Results 171 to 180 of about 151,349 (311)

QM/MM hybrid simulation of enzyme-Mn synergistic catalysis for quinazolinones: computational determination of activation energy and transition state. [PDF]

Front Chem
Cao H.
europepmc   +1 more source

Weakly‐Coordinating Non‐Fluorinated Diluents for Local High‐Concentration Electrolytes in Advanced Lithium Metal Batteries

Advanced Materials, EarlyView.
This perspective critically evaluates non‐fluorinated diluents in local high‐concentration electrolytes, categorizing their solvation behavior, interfacial mechanisms, and sustainability potential to guide future electrolyte design for lithium metal batteries.
Yin Cui, Xinrui Li, Nan Jiang, Xinyan Huang, E. Lora da Silva, Ruo Zhao, Tao Yang, Qingxia Liu, Xidong Lin   +8 more
wiley   +1 more source

CFD-driven neural network and SVM models for airfoil aerodynamic enhancement with bio-inspired riblets and plasma actuation. [PDF]

Sci Rep
Karthikeyan KV, Raju A, Jain J, Lekshmanan S, Rajan H.   +4 more
europepmc   +1 more source

Advances in Magnesium‐Based Thermoelectrics: A Critical Review

Advanced Materials, EarlyView.
Magnesium‐based thermoelectric materials have emerged as promising candidates for low‐to‐mid‐temperature energy conversion due to their abundance, low cost, and competitive performance. This review summarizes recent advances in Mg3X2, MgAgSb, and Mg2X systems, covering transport mechanisms, fabrication strategies, stability challenges, and device ...
Li‐Min Zhang, Li Zhang, Nan‐Hai Li, Yan‐Ling Yang, Xiao‐Lei Shi, Zhi‐Gang Chen   +5 more
wiley   +1 more source

End-to-end molecular structure elucidation from multimodal NMR spectra images using vision transformers. [PDF]

Chem Sci
Han C, Pan X, Zhang Y.
europepmc   +1 more source

Weaving Intelligence: Thermally Drawn Multimaterial Fibers Toward AI‐Enabled Smart Textiles

Advanced Materials, EarlyView.
Thermally drawn multimaterial fibers are rapidly advancing as intelligent structural units for next‐generation smart textiles. Integrating multimaterial architectures with neuromorphic and spiking‐neural‐network principles enables fabrics that can sense, compute, and adapt autonomously.
Vuong Dinh Trung, Jiaxiang Yi, Hieu Nguyen‐Duc, Tien Nu Hoang Lo, Weili Zhao, Chaoqun Dong, Fabien Sorin, Baris Caglar, Lei Wei, Tung Nguyen‐Dang   +9 more
wiley   +1 more source

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

Advanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano, Zihan You, Haoran Chen, Qifan Zhong, Rong‐Zhen Liao, Shaoqi Zhan   +5 more
wiley   +1 more source

RiTex: Harmonization of Radiomic Features Based on Riemannian Geometry. [PDF]

J Imaging
Voitenko DA, Vladzymyrskyy AV, Omelyanskaya OV, Vasilev YA, Blokhin IA, Kodenko MR.   +5 more
europepmc   +1 more source

Ultra‐High‐Throughput Discovery of Multifunctional Polyphenolic Coatings on Droplet Microarrays

Advanced Materials, EarlyView.
An ultra‐high‐throughput (UHT) combinatorial strategy enables the miniaturized synthesis and screening of ≈30 000 polyamine‐polyphenolic (PaPp) coatings using droplet microarrays (DMA). This approach reveals hundreds of previously unknown fluorescent, redox‐active, and antibacterial materials, including multifunctional, cell‐compatible surfaces ...
Vania Tanda Widyaya, Joaquín E. Urrutia Gómez, Paul Reuß, Alexander Welle, Rolf A. Gattung, Jana Mayer, Peter Krolla, Markus Reischl, Pascal Friederich, Anna A. Popova, Thomas Schwartz, Pavel A. Levkin   +11 more
wiley   +1 more source

High-Precision and Efficient Calibration of Robot Polishing Systems Using an Adaptive Residual EKF Optimized by MIPO. [PDF]

Sensors (Basel)
Wang L, Yao Y, Ruan S, Li H, Zhang X, Zhang Y, Zang Z, Yu Z.   +7 more
europepmc   +1 more source