A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction
Fuente:
arXiv
Saved in:
| Main Authors: | Yan, Keqiang, Saxton, Alexandra, Qian, Xiaofeng, Qian, Xiaoning, Ji, Shuiwang |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Complete and Efficient Graph Transformers for Crystal Material Property Prediction
by: Yan, Keqiang, et al.
Published: (2024)
by: Yan, Keqiang, et al.
Published: (2024)
Toward Greater Autonomy in Materials Discovery Agents: Unifying Planning, Physics, and Scientists
by: Zhou, Lianhao, et al.
Published: (2025)
by: Zhou, Lianhao, et al.
Published: (2025)
Space Group Equivariant Crystal Diffusion
by: Chang, Rees, et al.
Published: (2025)
by: Chang, Rees, et al.
Published: (2025)
Crystal Generation using the Fully Differentiable Pipeline and Latent Space Optimization
by: Ridwan, Osman Goni, et al.
Published: (2026)
by: Ridwan, Osman Goni, et al.
Published: (2026)
Bending strain induced thermal conductivity suppression in freestanding BaTiO3 and SrTiO3 membranes
by: Qian, Ziyan, et al.
Published: (2026)
by: Qian, Ziyan, et al.
Published: (2026)
A Materials Foundation Model via Hybrid Invariant-Equivariant Architectures
by: Yan, Keqiang, et al.
Published: (2025)
by: Yan, Keqiang, et al.
Published: (2025)
Strain-Gradient-Driven Decoupling of Thermal Suppression from Anisotropy in \b{eta}-Ga2O3
by: Zhang, Guangwu, et al.
Published: (2025)
by: Zhang, Guangwu, et al.
Published: (2025)
Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation
by: Yan, Keqiang, et al.
Published: (2025)
by: Yan, Keqiang, et al.
Published: (2025)
WyckoffDiff -- A Generative Diffusion Model for Crystal Symmetry
by: Kelvinius, Filip Ekström, et al.
Published: (2025)
by: Kelvinius, Filip Ekström, et al.
Published: (2025)
Actively-trained magnetic Moment Tensor Potentials for mechanical, dynamical, and thermal properties of paramagnetic CrN
by: Kotykhov, Alexey S., et al.
Published: (2024)
by: Kotykhov, Alexey S., et al.
Published: (2024)
SLayerGen: a Crystal Generative Model for all Space and Layer Groups
by: Chang, Rees, et al.
Published: (2026)
by: Chang, Rees, et al.
Published: (2026)
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
by: Yu, Haiyang, et al.
Published: (2023)
by: Yu, Haiyang, et al.
Published: (2023)
The effect of MgO insertion into the interstitial spaces of $BaY_2O_4$ on the upconversion response of $Er^{3+}:Yb^{3+}$ at illumination with 976 nm excitation light
by: Dudas, Liviu
Published: (2024)
by: Dudas, Liviu
Published: (2024)
Predicting interstitial elements in Refractory Complex Concentrated Alloys
by: Huang, Aomin, et al.
Published: (2025)
by: Huang, Aomin, et al.
Published: (2025)
Spectroscopy of Sm$^{3+}$ Ions in the C$_{\rm s}$ Symmetry Centres of Hydrothermally Prepared K$_2$YF$_5$ Microcrystals
by: Chanprakhon, Pakwan, et al.
Published: (2025)
by: Chanprakhon, Pakwan, et al.
Published: (2025)
Equivariant Graph Neural Networks for Prediction of Tensor Material Properties of Crystals
by: Heilman, Alex, et al.
Published: (2024)
by: Heilman, Alex, et al.
Published: (2024)
Tailoring Heat Transfer at Silica-Water Interfaces via Hydroxyl and Methyl Surface Groups
by: Mandrolko, Viktor, et al.
Published: (2025)
by: Mandrolko, Viktor, et al.
Published: (2025)
Interpretable, Physics-Informed Learning Reveals Sulfur Adsorption and Poisoning Mechanisms in 13-Atom Icosahedra Nanoclusters
by: Monteiro, Raiane Ferreira, et al.
Published: (2026)
by: Monteiro, Raiane Ferreira, et al.
Published: (2026)
Nonstationary behavior of the upconversion processes of $Er^{3+}:Yb^{3+}$ ions pair doping the $Y_2O_3$ ceramic illuminated with 976 nm laser light
by: Dudas, Liviu
Published: (2024)
by: Dudas, Liviu
Published: (2024)
Interionic distance distributions between $Er^{3+}$ and $Yb^{3+}$ as dopants in some crystal matrix hosts used for upconversion luminescence
by: Dudas, Liviu
Published: (2024)
by: Dudas, Liviu
Published: (2024)
On the Markov Property of Neural Algorithmic Reasoning: Analyses and Methods
by: Bohde, Montgomery, et al.
Published: (2024)
by: Bohde, Montgomery, et al.
Published: (2024)
Comprehensive Molecular Representation from Equivariant Transformer
by: Tao, Nianze, et al.
Published: (2023)
by: Tao, Nianze, et al.
Published: (2023)
Theoretical design of nanocatalysts based on (Fe$_2$O$_3$)$_n$ clusters for hydrogen production from ammonia
by: Ibragimov, Sapajan, et al.
Published: (2024)
by: Ibragimov, Sapajan, et al.
Published: (2024)
Non-equilibrium Molecular Dynamics Study of Surface Wettability Effects on Pool Boiling of Water over Nanoscale Aluminum Substrate
by: Sotoudeh, Farhad, et al.
Published: (2025)
by: Sotoudeh, Farhad, et al.
Published: (2025)
Evolution of cavities in BCC-Fe with coexisting H and He under fusion environments
by: Wang, Jin, et al.
Published: (2025)
by: Wang, Jin, et al.
Published: (2025)
Symmetry-Driven Generation of Crystal Structures from Composition
by: Yin, Shi, et al.
Published: (2026)
by: Yin, Shi, et al.
Published: (2026)
Siamese Foundation Models for Crystal Structure Prediction
by: Wu, Liming, et al.
Published: (2025)
by: Wu, Liming, et al.
Published: (2025)
Ubiquitous Symmetry at Critical Points Across Diverse Optimization Landscapes
by: Schneider, Irmi
Published: (2025)
by: Schneider, Irmi
Published: (2025)
Transformer-Enhanced Variational Autoencoder for Crystal Structure Prediction
by: Chen, Ziyi, et al.
Published: (2025)
by: Chen, Ziyi, et al.
Published: (2025)
Interpretable Nanoporous Materials Design with Symmetry-Aware Networks
by: Zhou, Zhenhao, et al.
Published: (2025)
by: Zhou, Zhenhao, et al.
Published: (2025)
Equivariant Graph Network Approximations of High-Degree Polynomials for Force Field Prediction
by: Xu, Zhao, et al.
Published: (2024)
by: Xu, Zhao, et al.
Published: (2024)
Laser Site-Selective Spectroscopy and Magnetic Hyperfine Splittings of Ho$^{3+}$ doped Y$_{2}$SiO$_{5}$
by: Mothkuri, Sagar, et al.
Published: (2024)
by: Mothkuri, Sagar, et al.
Published: (2024)
Bilayer B80 Structure: High Stability and Experimental Support for Existence
by: Chen, Yi-Sha, et al.
Published: (2025)
by: Chen, Yi-Sha, et al.
Published: (2025)
Crystal Fractional Graph Neural Network for Energy Prediction of High-Entropy Alloys
by: Kotama, Takanori, et al.
Published: (2026)
by: Kotama, Takanori, et al.
Published: (2026)
Electron Energy Loss Spectroscopy of oriented targets and magnetic transitions
by: Iatrakis, Ioannis, et al.
Published: (2026)
by: Iatrakis, Ioannis, et al.
Published: (2026)
Optimizing Atomic Number Contrast in Multislice Electron Ptychography
by: Denzer, Bridget R., et al.
Published: (2025)
by: Denzer, Bridget R., et al.
Published: (2025)
Local electronic excitations by slow light ions in tungsten
by: Ponomareva, Evgeniia, et al.
Published: (2024)
by: Ponomareva, Evgeniia, et al.
Published: (2024)
Tuning of electronic properties in highly lattice-mismatched epitaxial SmN
by: Vallejo, K. D., et al.
Published: (2025)
by: Vallejo, K. D., et al.
Published: (2025)
Suppression of the thermal hysteresis in magnetocaloric MnAs thin film by highly charged ion bombardment
by: Trassinelli, Martino, et al.
Published: (2014)
by: Trassinelli, Martino, et al.
Published: (2014)
Hints on the origin of the thermal hysteresis suppression in giant magnetocaloric thin films irradiatied with highly charged ions
by: Cervera, S, et al.
Published: (2015)
by: Cervera, S, et al.
Published: (2015)
Similar Items
-
Complete and Efficient Graph Transformers for Crystal Material Property Prediction
by: Yan, Keqiang, et al.
Published: (2024) -
Toward Greater Autonomy in Materials Discovery Agents: Unifying Planning, Physics, and Scientists
by: Zhou, Lianhao, et al.
Published: (2025) -
Space Group Equivariant Crystal Diffusion
by: Chang, Rees, et al.
Published: (2025) -
Crystal Generation using the Fully Differentiable Pipeline and Latent Space Optimization
by: Ridwan, Osman Goni, et al.
Published: (2026) -
Bending strain induced thermal conductivity suppression in freestanding BaTiO3 and SrTiO3 membranes
by: Qian, Ziyan, et al.
Published: (2026)