Image de couverture de livre

Materials design based on a material-motif network and heterogeneous graphs

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Aryal, Anoj, Gong, Weiyi, Banjade, Huta, Yan, Qimin
Format:	Preprint
Publié:	2026
Sujets:	Materials Science
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Symmetry-guided data-driven discovery of native quantum defects in two-dimensional materials
par: Tsai, Jeng-Yuan, et autres
Publié: (2024)

Bridging deep learning force fields and electronic structures with a physics-informed approach
par: Qi, Yubo, et autres
Publié: (2024)

Crystal Hypergraph Convolutional Networks
par: Heilman, Alexander J., et autres
Publié: (2024)

Towards Accurate Prediction of Configurational Disorder Properties in Materials using Graph Neural Networks
par: Fang, Zhenyao, et autres
Publié: (2024)

Graph Transformer Networks for Accurate Band Structure Prediction: An End-to-End Approach
par: Gong, Weiyi, et autres
Publié: (2024)

Database of Tensorial Optical and Transport Properties of Materials From the Wannier Function Method
par: Fang, Zhenyao, et autres
Publié: (2025)

A Machine Learning Framework for Modeling Ensemble Properties of Atomically Disordered Materials
par: Fang, Zhenyao, et autres
Publié: (2025)

Chemical-motif characterization of short-range order with E(3)-equivariant graph neural networks
par: Sheriff, Killian, et autres
Publié: (2024)

Equivariant Graph Neural Networks for Prediction of Tensor Material Properties of Crystals
par: Heilman, Alex, et autres
Publié: (2024)

Coarse-grained crystal graph neural networks for reticular materials design
par: Korolev, Vadim, et autres
Publié: (2023)

Leveraging Persistent Homology Features for Accurate Defect Formation Energy Predictions via Graph Neural Networks
par: Fang, Zhenyao, et autres
Publié: (2024)

Effect of size dependent strain at various coverage on island formation: Kinetic Monte Carlo study
par: Aryal, Ganesh
Publié: (2024)

Inverse design of heterodeformations for strain soliton networks in bilayer 2D materials
par: Ahmed, Md Tusher, et autres
Publié: (2026)

Elastic anisotropy in heterogeneous materials
par: Nagaraja, Abhilash M
Publié: (2022)

Generative design of inorganic materials
par: Recatala-Gomez, Jose, et autres
Publié: (2026)

Sustainability-informed materials design
par: Woods-Robinson, Rachel, et autres
Publié: (2026)

Clay metaBrick-based motif to enhance thermal and acoustic insulation
par: Lemkalli, Brahim, et autres
Publié: (2023)

Accurate Prediction of Tensorial Spectra Using Equivariant Graph Neural Network
par: Hsu, Ting-Wei, et autres
Publié: (2025)

Physically recurrent neural network for rate and path-dependent heterogeneous materials in a finite strain framework
par: Maia, M. A., et autres
Publié: (2024)

Crystalyse: a multi-tool agent for materials design
par: Nduma, Ryan, et autres
Publié: (2025)

aflow++: a C++ framework for autonomous materials design
par: Oses, C., et autres
Publié: (2022)

Inverse design for Casimir-Lifshitz force near heterogeneous gapped metal surface
par: Boström, M., et autres
Publié: (2024)

Effect of quenched heterogeneity on creep lifetimes of disordered materials
par: Verano-Espitia, Juan Carlos, et autres
Publié: (2024)

Large Language Models for Material Property Predictions: elastic constant tensor prediction and materials design
par: Liu, Siyu, et autres
Publié: (2024)

Accelerated prediction of dielectric functions in solar cell materials with graph neural networks
par: Ginter, Caden, et autres
Publié: (2025)

Embedding material graphs using the electron-ion potential: application to material fracture
par: Tawfik, Sherif Abdulkader, et autres
Publié: (2024)

Substrate-aware computational design of two-dimensional materials
par: Mazitov, Arslan, et autres
Publié: (2024)

Unveiling defect motifs in amorphous GeSe using machine learning interatomic potentials
par: Moon, Minseok, et autres
Publié: (2025)

Optical materials discovery and design with federated databases and machine learning
par: Trinquet, Victor, et autres
Publié: (2024)

exa-AMD: An Exascale-Ready Framework for Accelerating the Discovery and Design of Functional Materials
par: Xia, Weiyi, et autres
Publié: (2025)

AI-driven materials design: a mini-review
par: Cheng, Mouyang, et autres
Publié: (2025)

Effect of Group-V Impurities on the Electronic Properties of Germanium Detectors: An Insight from First-Principles Calculations
par: Aryal, Sandip, et autres
Publié: (2025)

Stoichiometric and Non-stoichiometric Cesium Potassium Antimonide Photocathodes: Ab-initio Insights into its Properties for Photoemission
par: Aryal, Sandip, et autres
Publié: (2025)

Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry
par: Ko, Tsz Wai, et autres
Publié: (2025)

Materealize: a multi-agent deliberation system for end-to-end material design and synthesis
par: Kim, Seongmin, et autres
Publié: (2026)

Structural heterogeneity-induced enhancement of transverse magneto-thermoelectric conversion revealed by thermoelectric imaging in functionally graded materials
par: Park, Sang J., et autres
Publié: (2026)

Phase field study of the effective fracture energy increase during dynamic crack propagation in disordered heterogeneous materials
par: Henry, Hervé
Publié: (2025)

Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
par: Evans, Matthew L., et autres
Publié: (2024)

Learning disentangled latent representations facilitates discovery and design of functional materials
par: Cha, Jaehoon, et autres
Publié: (2025)

Generative deep learning for the inverse design of materials
par: Long, Teng, et autres
Publié: (2024)