Results 101 to 110 of about 927,930 (289)
ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray +3 more
wiley +1 more source
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan +8 more
wiley +1 more source
Random Variables Aren’t Random
This paper examines the foundational concept of random variables in probability theory and statistical inference, demonstrating that their mathematical definition requires no reference to randomization or hypothetical repeated sampling.
Paul W. Vos
doaj +1 more source
The interfacial stability and activity of Ni‐Fe‐based AEMWE anodes can be directly enhanced by operando voltage‐cycling in a FeOOH‐containing electrolyte. This process simultaneously induces Ni oxidation and Fe incorporation, forming an integrated, porous (Fe, Ni)OOH layer with high conductivity and durability.
Euntaek Oh +10 more
wiley +1 more source
This review critically examines thermal transport and radiative properties of ultra‐high temperature ceramics for hypersonic flight, advanced nuclear systems, and next‐generation energy conversion devices. It explores phonon–photon–electron interactions, microstructural engineering, thermoelectric conversion, and machine learning‐accelerated multiscale
Zhipeng Pei +8 more
wiley +1 more source
Logical recognition in the space of multivalued attributes [PDF]
A logical approach to the problem of recognition is proposed, that is based on searching for implicative regularities, constructing a knowledge base and its applying to the computation of the goal attributes values. Sectional Boolean vectors and matrices
A. Zakrevsky
doaj
A physics‐informed property‐bridging framework links high‐throughput hardness screening to tensile performance in quenching and partitioning steels. By transferring metallurgically guided representations across properties, a single alloy composition is designed to achieve multiple strength grades through heat‐treatment tuning alone, offering a ...
Xiaolu Wei +7 more
wiley +1 more source
The integration of rare‐metal neodymium centers to engineer Lewis acid sites with nickel centers is proposed as highly efficient UOR catalysts. ABSTRACT The sluggish kinetics of the urea oxidation reaction (UOR) are strongly associated with the high energy barriers required for the C‐N cleavage and N‐N coupling steps.
Mingfan Li +8 more
wiley +1 more source
Topology‐Aware Deep Learning on Higher‐Order Structures for Drug Response Prediction
We present TopDr, a topology‐aware deep learning framework that encodes both drugs and cell lines as multiscale simplicial complexes, capturing interactions at the 0‐, 1‐, and 2‐simplex levels. By jointly integrating local higher‐order neighborhoods and global topological structures, TopDr generates enriched representations for sensitivity prediction ...
Cong Shen +3 more
wiley +1 more source

