Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structure
Fuente:
arXiv
Saved in:
| Main Authors: | Hung, Nguyen Tuan, Okabe, Ryotaro, Chotrattanapituk, Abhijatmedhi, Li, Mingda |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Universal Ensemble‐Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
by: Nguyen Tuan Hung, et al.
Published: (2024)
by: Nguyen Tuan Hung, et al.
Published: (2024)
Universal Ensemble‐Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures (Adv. Mater. 46/2024)
by: Nguyen Tuan Hung, et al.
Published: (2024)
by: Nguyen Tuan Hung, et al.
Published: (2024)
AI-driven materials design: a mini-review
by: Cheng, Mouyang, et al.
Published: (2025)
by: Cheng, Mouyang, et al.
Published: (2025)
Quantum Theory of Functionally Graded Materials
by: Landry, Michael J., et al.
Published: (2026)
by: Landry, Michael J., et al.
Published: (2026)
Universal Magnetic Structure Prediction from Atomic Coordinates with Near-Experimental Accuracy
by: Chotrattanapituk, Abhijatmedhi, et al.
Published: (2026)
by: Chotrattanapituk, Abhijatmedhi, et al.
Published: (2026)
Large Language Model-Guided Prediction Toward Quantum Materials Synthesis
by: Okabe, Ryotaro, et al.
Published: (2024)
by: Okabe, Ryotaro, et al.
Published: (2024)
Structural Constraint Integration in Generative Model for Discovery of Quantum Material Candidates
by: Okabe, Ryotaro, et al.
Published: (2024)
by: Okabe, Ryotaro, et al.
Published: (2024)
Learning Thermoelectric Transport from Crystal Structures via Multiscale Graph Neural Network
by: Zeng, Yuxuan, et al.
Published: (2025)
by: Zeng, Yuxuan, et al.
Published: (2025)
Strain Effect on Rashba Splitting and Phonon Scattering to Improve Thermoelectric Performance of 2D Heterobilayer MoTe$_{2}$/PtS$_{2}$
by: Van Thanh, Vuong, et al.
Published: (2025)
by: Van Thanh, Vuong, et al.
Published: (2025)
High-temperature stability of ambient-cured one-part alkali-activated materials incorporating graphene for thermal energy storage
by: Tran, Nghia, et al.
Published: (2024)
by: Tran, Nghia, et al.
Published: (2024)
A Foundation Model for Non-Destructive Defect Identification from Vibrational Spectra
by: Cheng, Mouyang, et al.
Published: (2025)
by: Cheng, Mouyang, et al.
Published: (2025)
Dual Optical Hyperbolicity of PdCoO$_2$ and PdCrO$_2$ Delafossite Single Crystals
by: Macis, Salvatore, et al.
Published: (2025)
by: Macis, Salvatore, et al.
Published: (2025)
Stable Long-Horizon Spatiotemporal Prediction on Meshes Using Latent Multiscale Recurrent Graph Neural Networks
by: Salesses, Lionel, et al.
Published: (2026)
by: Salesses, Lionel, et al.
Published: (2026)
Inverse Design of Promising Alloys for Electrocatalytic CO$_2$ Reduction via Generative Graph Neural Networks Combined with Bird Swarm Algorithm
by: Song, Zhilong, et al.
Published: (2024)
by: Song, Zhilong, et al.
Published: (2024)
All-Optical Domain Inversion in LiNbO3 Crystals by Visible Continuous-Wave Laser Irradiation
by: Sebastián-Vicente, Carlos, et al.
Published: (2023)
by: Sebastián-Vicente, Carlos, et al.
Published: (2023)
Unbiased Atomistic Predictions of Crystal Dislocation Dynamics using Bayesian Force Fields
by: Owen, Cameron J., et al.
Published: (2024)
by: Owen, Cameron J., et al.
Published: (2024)
Scalable van der Waals Photonics: High-Refractive-Index Gallium Sulfide Films with Single-Crystal Optical Properties
by: Slavich, Aleksandr, et al.
Published: (2025)
by: Slavich, Aleksandr, et al.
Published: (2025)
Determining the density of in-gap states in organic semiconductors: A pitfall of photoelectron yield spectroscopy
by: Nakazawa, Ryotaro, et al.
Published: (2025)
by: Nakazawa, Ryotaro, et al.
Published: (2025)
Ferroelectric Nematic Liquid Crystals as Charge Boosters for Triboelectric Nanogenerators
by: Ye, Jia-Yao, et al.
Published: (2025)
by: Ye, Jia-Yao, et al.
Published: (2025)
Strain effect on optical properties and quantum weight of monolayer MnBi$_2$X$_4$ (X = Te, Se, S)
by: Hung, Nguyen Tuan, et al.
Published: (2025)
by: Hung, Nguyen Tuan, et al.
Published: (2025)
Thermal Conductivity of Cubic Silicon Carbide Single Crystals Heavily Doped by Nitrogen
by: Huang, Zifeng, et al.
Published: (2024)
by: Huang, Zifeng, et al.
Published: (2024)
Kinetics of the photochromic effect in oxygen-containing rare-earth hydrides
by: Moldarev, Dmitrii, et al.
Published: (2025)
by: Moldarev, Dmitrii, et al.
Published: (2025)
High-pressure magnetic transition in iron observed via diamond quantum sensing
by: Yamamoto, Kouki, et al.
Published: (2026)
by: Yamamoto, Kouki, et al.
Published: (2026)
Experimental Observation of Extremely Strong Defect-Phonon Scatterings in Semiconductor Single Crystals
by: Huang, Zifeng, et al.
Published: (2025)
by: Huang, Zifeng, et al.
Published: (2025)
Neutralizing Optical Defects in GeSn
by: Eldose, Nirosh M., et al.
Published: (2025)
by: Eldose, Nirosh M., et al.
Published: (2025)
XHEMTs on Ultrawide Bandgap Single-Crystal AlN Substrates
by: Kim, Eungkyun, et al.
Published: (2025)
by: Kim, Eungkyun, et al.
Published: (2025)
Crystallization of piezoceramic films on glass via flash lamp annealing
by: Song, Longfei, et al.
Published: (2023)
by: Song, Longfei, et al.
Published: (2023)
Optimizing Phononic Crystal Waveguides for Acoustically Induced Spin Transport
by: Singh, Karanpreet, et al.
Published: (2024)
by: Singh, Karanpreet, et al.
Published: (2024)
Inferring Material Parameters from Current-Voltage Curves in Organic Solar Cells via Neural-Network-Based Surrogate Models
by: Kim, Eunchi, et al.
Published: (2025)
by: Kim, Eunchi, et al.
Published: (2025)
Optically Reconfigurable Electrodes for Dielectric Elastomer Actuators
by: Domel, Gino, et al.
Published: (2025)
by: Domel, Gino, et al.
Published: (2025)
Formation of Micrometer-Sized Textured Hexagonal Silicon Crystals via Nanoindentation
by: Bikerouin, Mouad, et al.
Published: (2024)
by: Bikerouin, Mouad, et al.
Published: (2024)
Radiation-induced Instability of Organic-Inorganic Halide Perovskite Single Crystals
by: Chen, Ruitian, et al.
Published: (2025)
by: Chen, Ruitian, et al.
Published: (2025)
On the Generation of Phononic Frequency Combs Using Defect Modes of Phononic Crystals
by: Bharadwaj, Suhas Suresh, et al.
Published: (2025)
by: Bharadwaj, Suhas Suresh, et al.
Published: (2025)
Controlled Spalling of Single Crystal 4H-SiC Bulk Substrates
by: Horn, Connor P, et al.
Published: (2024)
by: Horn, Connor P, et al.
Published: (2024)
Artificial Neural Network based Modelling for Variational Effect on Double Metal Double Gate Negative Capacitance FET
by: Pathak, Yash, et al.
Published: (2024)
by: Pathak, Yash, et al.
Published: (2024)
Chiral Triclinic Metamaterial Crystals Supporting Isotropic Acoustical Activity and Isotropic Chiral Phonons
by: Chen, Yi, et al.
Published: (2020)
by: Chen, Yi, et al.
Published: (2020)
Direct observation of topological charge impacting skyrmion bubble stability in Pt/Ni/Co asymmetric superlattices
by: Pandey, Nisrit, et al.
Published: (2021)
by: Pandey, Nisrit, et al.
Published: (2021)
Optical studies of melanin films as a material for solar light absorbers
by: Obukhova, T., et al.
Published: (2024)
by: Obukhova, T., et al.
Published: (2024)
Spatially-Controlled Planar Guided Crystallization of Low-Loss Phase Change Materials for Programmable Photonics
by: Bentata, Fouad, et al.
Published: (2025)
by: Bentata, Fouad, et al.
Published: (2025)
Modeling of High-Sensitivity SAW Magnetic Field Sensors with Au-SiO2 Phononic Crystals
by: Samadi, Mohsen, et al.
Published: (2025)
by: Samadi, Mohsen, et al.
Published: (2025)
Similar Items
-
Universal Ensemble‐Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
by: Nguyen Tuan Hung, et al.
Published: (2024) -
Universal Ensemble‐Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures (Adv. Mater. 46/2024)
by: Nguyen Tuan Hung, et al.
Published: (2024) -
AI-driven materials design: a mini-review
by: Cheng, Mouyang, et al.
Published: (2025) -
Quantum Theory of Functionally Graded Materials
by: Landry, Michael J., et al.
Published: (2026) -
Universal Magnetic Structure Prediction from Atomic Coordinates with Near-Experimental Accuracy
by: Chotrattanapituk, Abhijatmedhi, et al.
Published: (2026)