Results 141 to 150 of about 783,181 (348)
Advanced Science, EarlyView.This review comprehensively summarizes the atomic defects in TMDs for their applications in sustainable energy storage devices, along with the latest progress in ML methodologies for high‐throughput TEM data analysis, offering insights on how ML‐empowered microscopy facilitates bridging structure–property correlation and inspires knowledge for precise ...
Zheng Luo +6 more
wiley +1 more source
Coordinated graphs and clique graphs of clique-Helly perfect graphs
, 2007 Publicación ISIA new class of graphs related to perfect graphs is defined in this work: coordinated graphs. A graph G is coordinated if the cardinality of a maximum set of cliques of H with a common vertex is equal to the cardinality of a minimum ...
Groshaus, Marina +2 more
core
ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals
Advanced Science, EarlyView.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
Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design
Advanced Science, EarlyView.A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram +4 more
wiley +1 more source
Discrete Mathematics, 1995 Let \(G\) be a graph. A set \(X\) of vertices of \(G\) is said to be a dominating set of vertices of \(G\) if \(V(G)\) is contained in the closed neighbourhood of \(X\). The smallest cardinality of a dominating set of vertices in \(G\) is called the domination number of \(G\) and is denoted by \(\gamma(G)\). Let \(X\) be a set of vertices of \(G\).
openaire +2 more sources
On the validity of Lovász’s inequality for induced star-perfect graphs
Journal of Inequalities and ApplicationsLet F $\mathcal{F}$ be a family of graphs. For a graph G, define θ F ( G ) $\theta _{F}(G)$ as the minimum number of induced subgraphs of G, each isomorphic to a member of F $\mathcal{F}$ , needed to cover V ( G ) $V(G)$ , and α F ( G ) $\alpha _{F}(G ...
James Alex, Louis Caccetta
doaj +1 more source
Advanced Science, EarlyView.A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley +1 more source
Perfect Italian Domination on and Near Split Graphs: Algorithms, Hardness, and Approximation [PDF]
Anand Babu N B +3 more
openalex +1 more source
Physics‐Informed Neural Network‐Enabled Forward Prediction and Inverse Design of Ring Origami
Advanced Science, EarlyView.This work presents a KRT‐PINN framework that integrates Kirchhoff rod theory with physics‐informed neural networks for the forward prediction and inverse design of ring origami consisting of closed‐loop rods. The framework predicts stable states of segmented rings with prescribed natural‐curvature profiles and determines the natural‐curvature profiles ...
Luyuan Ning +3 more
wiley +1 more source
Perfect state transfer on mixed graphs: complete classes and transfer times [PDF]
Xingkun Song
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