Results 81 to 90 of about 125 (125)

Signed Projective Cubes, a Homomorphism Point of View

Journal of Graph Theory, EarlyView.
ABSTRACT The (signed) projective cubes, as a special class of graphs closely related to the hypercubes, are on the crossroad of geometry, algebra, discrete mathematics and linear algebra. Defined as Cayley graphs on binary groups, they represent basic linear dependencies.
Meirun Chen, Reza Naserasr, Alessandra Sarti   +2 more
wiley   +1 more source

Molecular descriptor driven QSPR modeling of Papp, TEER and Efflux Ratio from Caco‐2 cells using machine learning for various phytochemicals

Journal of the Science of Food and Agriculture, EarlyView.
Abstract BACKGROUND The present study aimed to develop and validate quantitative structure–property relationship (QSPR) models for predicting permeability related bioavailability indicators including apparent permeability (Papp), trans‐epithelial electrical resistance (TEER) and efflux ratio (ER) based on molecular descriptors (n = 5003) of 83 ...
Jin‐Woo Kim, Rixing Cong, Jin‐Soo Park, Keunwan Park, Kyungsu Kang, Soon‐Mi Shim   +5 more
wiley   +1 more source

Optical Skyrmions with Tunable or Reconfigurable Topology Using Spin‐Decoupled Metaoptics

Laser &Photonics Reviews, EarlyView.
The work introduces advanced optical elements capable of generating and dynamically reconfiguring complex light patterns known as optical skyrmions. By precisely shaping light polarization at the nanoscale, a single engineered metasurface can generate and manipulate robust and tunable polarization textures in an efficient and scalable way.
Andrea Vogliardi, Daniele Bonaldo, Simone Dal Zilio, Vittorio Apolloni, Filippo Romanato, Gianluca Ruffato   +5 more
wiley   +1 more source

Controlling Collective Quasiparticle Dynamics Beyond Decoherence in Topological Interfaces

Laser &Photonics Reviews, EarlyView.
Gold nanoparticles placed above a deformed honeycomb plasmonic crystal couple to a chiral topological interface mode. The pseudospin‐split bands ψ+/ ψ− encode spin‐momentum locking, so emitters radiate directionally along the domain wall and share a common phase.
Fatemeh Davoodi
wiley   +1 more source

Multispectral Concentric Grafted Perfect Vector Vortex Beam

Laser &Photonics Reviews, EarlyView.
Multispectral structured light offers powerful opportunities for increasing information capacity. A multispectral concentric grafted perfect vector vortex beam is proposed to engineer topological charges and polarization. A metasurface can graft different perfect vector vortex beams across concentric spatial regions and extend this concept to ...
Guanchao Wang, Hammad Ahmed, Chunmei Zhang, Yu Wang, Xiuyou Han, Li Li, Xianzhong Chen   +6 more
wiley   +1 more source

Theory of Supercritical Coupling and Generalized Bound States in the Continuum

Laser &Photonics Reviews, EarlyView.
We develop a general theory of supercritical coupling and generalized bound states in the continuum (gBICs), revealing how interference between radiative and absorptive channels enables quality factors beyond conventional material‐loss limits. The framework unifies non‐Hermitian mode coupling, causality‐driven reactive interactions, and interference ...
Sergio Balestrieri, Bruno Miranda, Silvia Romano, Gianluigi Zito   +3 more
wiley   +1 more source

Structure‐Aware Machine Learning for Polymers: A Hierarchical Graph Network for Predicting Properties From Statistical Ensembles

Macromolecular Rapid Communications, EarlyView.
This work presents a structure‐aware graph convolutional network that models polymers as statistical ensembles to predict macroscopic properties. By combining topologically realistic graphs generated via kinetic Monte Carlo simulations with explicit molar mass distributions, the framework achieves high accuracy in classifying architectures and ...
Julian Kimmig, Yannik Köster, Timo Koswig, Punith Raviswamy, Subhash V. S. Ganti, Stefan Zechel, Christopher Kuenneth, Ulrich S. Schubert   +7 more
wiley   +1 more source

Piezoelectric Polymers for Energy Harvesting in Transport Infrastructure by Graph‐Based Network Analysis

Macromolecular Symposia, EarlyView.
ABSTRACT This study investigates the integration of piezoelectric polymer technology into the transport infrastructure of the National University of Science and Technology Politehnica Bucharest campus. The research combines graph‐theoretical modeling with the implementation of piezoelectric polyvinylidene fluoride (PVDF) materials embedded within ...
Remus‐Andrei Dobrinoiu, Ionuț‐Cosmin Chiva, Augustin Semenescu, Constantin Gheorghe Opran   +3 more
wiley   +1 more source

Structural Optimization of 3D Braided Tungsten–Copper Composites via Active Learning and Finite Element Simulation

Materials Genome Engineering Advances, EarlyView.
An uncertainty‐aware FEM–GPR active learning framework efficiently explores the design space of 3D braided W–Cu composites, identifying architectures with higher yield strength and preserved electrical conductivity, whereas SHAP interpretation highlights yarn spacing in the braid plane as the key structural factor controlling composite performance ...
Lai Zhang, Tianwen Chen, Yongjing Wu, Fuzhu Liu, Yaping Wang, Zhimao Yang, Shengchun Yang   +6 more
wiley   +1 more source

GPUMDkit: A User‐Friendly Toolkit for GPUMD and NEP

Materials Genome Engineering Advances, EarlyView.
GPUMDkit is a comprehensive and user‐friendly toolkit for GPUMD and NEP programs, integrating format conversion, structure sampling, property calculation, and visualization into a unified interface, substantially lowering the barrier to entry for machine‐learning molecular dynamics simulations with GPUMD and NEP.
Zihan Yan, Denan Li, Xin Wu, Zhoulin Liu, Chen Hua, Boyi Situ, Hao Yang, Shengjie Tang, Benrui Tang, Ziyang Wang, Shangzhao Yi, Huan Wang, Dian Huang, Ke Li, Qilin Guo, Zherui Chen, Ke Xu, Yanzhou Wang, Ziliang Wang, Gang Tang, Shi Liu, Zheyong Fan, Yizhou Zhu   +22 more
wiley   +1 more source