:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Chang, Rees, Novick, Andrew, Adams, Ryan P, Ertekin, Elif
Format:	Preprint
Published:	2026
Subjects:	Materials Science Artificial Intelligence
Online Access:	https://arxiv.org/abs/2605.08262
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Space Group Equivariant Crystal Diffusion
by: Chang, Rees, et al.
Published: (2025)

A Space Group Symmetry Informed Network for O(3) Equivariant Crystal Tensor Prediction
by: Yan, Keqiang, et al.
Published: (2024)

Diagonal Symmetrization of Neural Network Solvers for the Many-Electron Schrödinger Equation
by: Huang, Kevin Han, et al.
Published: (2025)

MatterGen: a generative model for inorganic materials design
by: Zeni, Claudio, et al.
Published: (2023)

Finetuning-Free Diffusion Model with Adaptive Constraint Guidance for Inorganic Crystal Structure Generation
by: de Lambilly, Auguste, et al.
Published: (2026)

A Generation Framework with Strict Constraints for Crystal Materials Design
by: Huang, Chao, et al.
Published: (2024)

Siamese Foundation Models for Crystal Structure Prediction
by: Wu, Liming, et al.
Published: (2025)

WyckoffDiff -- A Generative Diffusion Model for Crystal Symmetry
by: Kelvinius, Filip Ekström, et al.
Published: (2025)

Vector Field Oriented Diffusion Model for Crystal Material Generation
by: Klipfel, Astrid, et al.
Published: (2023)

Probabilistic Prediction of Material Stability: Integrating Convex Hulls into Active Learning
by: Novick, Andrew, et al.
Published: (2024)

Crystal Generation using the Fully Differentiable Pipeline and Latent Space Optimization
by: Ridwan, Osman Goni, et al.
Published: (2026)

PhononBench:A Large-Scale Phonon-Based Benchmark for Dynamical Stability in Crystal Generation
by: Han, Xiao-Qi, et al.
Published: (2025)

Mapping the Configuration Space of Half-Heusler Compounds via Subspace Identification for Thermoelectric Materials Discovery
by: Pak, Angela, et al.
Published: (2025)

Investigation of Ga interstitial and vacancy diffusion in $β$-Ga$_2$O$_3$ via split defects: a direct approach via master diffusion equations
by: Lee, Channyung, et al.
Published: (2024)

Symmetry-Driven Generation of Crystal Structures from Composition
by: Yin, Shi, et al.
Published: (2026)

AI-Assisted Rapid Crystal Structure Generation Towards a Target Local Environment
by: Ridwan, Osman Goni, et al.
Published: (2025)

CLAMM: a spin CLuster expansion--Monte Carlo toolkit for Alloys and Magnetic Materials
by: Blankenau, Brian, et al.
Published: (2025)

Transformer-Enhanced Variational Autoencoder for Crystal Structure Prediction
by: Chen, Ziyi, et al.
Published: (2025)

LLM Meets Diffusion: A Hybrid Framework for Crystal Material Generation
by: Khastagir, Subhojyoti, et al.
Published: (2025)

Generative Design of Crystal Structures by Point Cloud Representations and Diffusion Model
by: Li, Zhelin, et al.
Published: (2024)

Beyond Structure: Invariant Crystal Property Prediction with Pseudo-Particle Ray Diffraction
by: Cao, Bin, et al.
Published: (2025)

PDDFormer: Pairwise Distance Distribution Graph Transformer for Crystal Material Property Prediction
by: Shen, Xiangxiang, et al.
Published: (2024)

Dismai-Bench: Benchmarking and designing generative models using disordered materials and interfaces
by: Yong, Adrian Xiao Bin, et al.
Published: (2024)

CrySPAI: A new Crystal Structure Prediction Software Based on Artificial Intelligence
by: Wang, Zongguo, et al.
Published: (2025)

Modeling glasses from first-principles using random structure sampling
by: Wolf, Laszlo, et al.
Published: (2024)

Design Topological Materials by Reinforcement Fine-Tuned Generative Model
by: Xu, Haosheng, et al.
Published: (2025)

Investigation of O interstitial diffusion in $β$-Ga$_2$O$_3$: direct approach via master diffusion equations
by: McKnight, Grace, et al.
Published: (2025)

Deep Learning-Driven Prediction of Microstructure Evolution via Latent Space Interpolation
by: Gaikwad, Sachin, et al.
Published: (2025)

Learning Metal Microstructural Heterogeneity through Spatial Mapping of Diffraction Latent Space Features
by: Calvat, Mathieu, et al.
Published: (2025)

Crystal Fractional Graph Neural Network for Energy Prediction of High-Entropy Alloys
by: Kotama, Takanori, et al.
Published: (2026)

Flexible, Model-Agnostic Method for Materials Data Extraction from Text Using General Purpose Language Models
by: Polak, Maciej P., et al.
Published: (2023)

Space Group Constrained Crystal Generation
by: Jiao, Rui, et al.
Published: (2024)

Generative Hierarchical Materials Search
by: Yang, Sherry, et al.
Published: (2024)

A Single Architecture for Representing Invariance Under Any Space Group
by: Zhang, Cindy Y., et al.
Published: (2025)

Probabilistic Phase Labeling and Lattice Refinement for Autonomous Material Research
by: Chang, Ming-Chiang, et al.
Published: (2023)

Generative Discovery of Magnetic Insulators under Competing Physical Constraints
by: Zeng, Qiulin, et al.
Published: (2026)

PRISMat: Policy-Driven, Permutation-Invariant Autoregressive Material Generation
by: Schlesinger, Claire, et al.
Published: (2026)

The Rise of Generative AI for Metal-Organic Framework Design and Synthesis
by: Duan, Chenru, et al.
Published: (2025)

Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey
by: Li, Zhixun, et al.
Published: (2025)

LLM Agents for Knowledge Discovery in Atomic Layer Processing
by: Werbrouck, Andreas, et al.
Published: (2025)