Selective Random Structure Search (SRSS): Unbiased Exploration of Polymorphs in Crystals
Fuente:
arXiv
Saved in:
| Main Authors: | Song, Jiexi, Shi, Diwei, She, Aixian, Cao, Chongde, Xuan, Fengyuan |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
GEWUM: General Exploration Workflow for the Utopia of Materials: A Unified Platform for Automated Structure Generation, Selection, and Validation
by: Song, Jiexi, et al.
Published: (2026)
by: Song, Jiexi, et al.
Published: (2026)
Accelerating Discovery of Ternary Chiral Materials via Large-Scale Random Crystal Structure Prediction
by: Song, Jiexi, et al.
Published: (2025)
by: Song, Jiexi, et al.
Published: (2025)
Ab initio Approach to Collective Excitations in Excitonic Insulators
by: Xuan, Fengyuan, et al.
Published: (2025)
by: Xuan, Fengyuan, et al.
Published: (2025)
Data-Driven Topological Analysis of Polymorphic Crystal Structures
by: Dey, Sourin, et al.
Published: (2025)
by: Dey, Sourin, et al.
Published: (2025)
Exciton-Enhanced Spontaneous Parametric Down-Conversion in Two-Dimensional Crystals
by: Xuan, Fengyuan, et al.
Published: (2023)
by: Xuan, Fengyuan, et al.
Published: (2023)
Polymorphism Crystal Structure Prediction with Adaptive Space Group Diversity Control
by: Omee, Sadman Sadeed, et al.
Published: (2025)
by: Omee, Sadman Sadeed, et al.
Published: (2025)
Molecular Insights into the Crystallization of 4'-Hydroxyacetophenone from Water: Solute Aggregation, Liquid-Liquid Phase Separation and Polymorph Selection
by: Bernardes, Carlos E S, et al.
Published: (2025)
by: Bernardes, Carlos E S, et al.
Published: (2025)
Quantum Geometric Advantage of the Correlated Exciton State in Non-linear Optics
by: Lai, MingRui, et al.
Published: (2024)
by: Lai, MingRui, et al.
Published: (2024)
Precursor-Dependent Energetics as a Predictive Principle for Polymorph Selection in Thin Films
by: Kim, Hyeon Woo, et al.
Published: (2026)
by: Kim, Hyeon Woo, et al.
Published: (2026)
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)
Thermal Conductivity of Double Polymorph Ga2O3 Structures
by: Abdullaev, Azat, et al.
Published: (2024)
by: Abdullaev, Azat, et al.
Published: (2024)
Machine Learning Guided Polymorph Selection in Molecular Beam Epitaxy of In2Se3
by: Trice, Ryan, et al.
Published: (2026)
by: Trice, Ryan, et al.
Published: (2026)
Accelerating Cathode Material Discovery through Ab Initio Random Structure Searching
by: Zhu, Bonan, et al.
Published: (2021)
by: Zhu, Bonan, et al.
Published: (2021)
Random Forest Prediction of Crystal Structure from Electron Diffraction Patterns Incorporating Multiple Scattering
by: Gleason, Samuel P., et al.
Published: (2024)
by: Gleason, Samuel P., et al.
Published: (2024)
Self-Supervised Generative Models for Crystal Structures
by: Liu, Fangze, et al.
Published: (2023)
by: Liu, Fangze, et al.
Published: (2023)
Polymorphism of monatomic iodine
by: Goncharov, Alexander F., et al.
Published: (2024)
by: Goncharov, Alexander F., et al.
Published: (2024)
An Investigation in the Kinetic Persistence of TiO$_2$ Polymorphs using Machine Learning Driven Pathfinding in Crystal Configuration Space
by: Gallant, Max C., et al.
Published: (2026)
by: Gallant, Max C., et al.
Published: (2026)
Machine Learning and Molecular Simulations Reveal Mechanisms of ZIFs Polymorph Selection
by: Méndez, Emilio, et al.
Published: (2026)
by: Méndez, Emilio, et al.
Published: (2026)
CrystalFormer-CSP: Thinking Fast and Slow for Crystal Structure Prediction
by: Cao, Zhendong, et al.
Published: (2025)
by: Cao, Zhendong, et al.
Published: (2025)
Crystal Symmetry Selected Pure Spin Photocurrent in Altermagnetic Insulators
by: Dong, Ruizhi, et al.
Published: (2024)
by: Dong, Ruizhi, et al.
Published: (2024)
CSPBench: a benchmark and critical evaluation of Crystal Structure Prediction
by: Wei, Lai, et al.
Published: (2024)
by: Wei, Lai, et al.
Published: (2024)
Polymorph Selection in Charged Colloids in the Second Nucleation Step
by: Royall, C. Patrick
Published: (2026)
by: Royall, C. Patrick
Published: (2026)
Stability and Symmetry-Assured Crystal Structure Generation for Inverse Design of Photocatalysts in Water Splitting
by: Song, Zhilong, et al.
Published: (2025)
by: Song, Zhilong, et al.
Published: (2025)
Is Large Language Model All You Need to Predict the Synthesizability and Precursors of Crystal Structures?
by: Song, Zhilong, et al.
Published: (2024)
by: Song, Zhilong, et al.
Published: (2024)
Polymorphic crystallites model for monolayer amorphous materials
by: Zhu, Le-Ye, et al.
Published: (2026)
by: Zhu, Le-Ye, et al.
Published: (2026)
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)
Electronic Structure of Ta$_2$O$_5$ Polymorphs: Variation Trend of Band Gap and the Role of Oxygen Vacancies
by: Tang, Hui-Min, et al.
Published: (2023)
by: Tang, Hui-Min, et al.
Published: (2023)
Generative AI for Crystal Structures: A Review
by: De Breuck, Pierre-Paul, et al.
Published: (2025)
by: De Breuck, Pierre-Paul, et al.
Published: (2025)
Weyl Semimetallic Phase in High Pressure CrSb$_2$ and Structural Compression Studies of its High Pressure Polymorphs
by: Linnemann, Carl Jonas, et al.
Published: (2024)
by: Linnemann, Carl Jonas, et al.
Published: (2024)
Laterally Differentiated Polymorphs: a route to multifunctional nanostructures
by: Lauer, Pete E., et al.
Published: (2026)
by: Lauer, Pete E., et al.
Published: (2026)
Electronic and Vibrational Properties of Layered Boron Nitride Polymorphs
by: Mishra, Priyanka, et al.
Published: (2025)
by: Mishra, Priyanka, et al.
Published: (2025)
XtalOpt Version 14: Variable-Composition Crystal Structure Search for Functional Materials Through Pareto Optimization
by: Hajinazar, Samad, et al.
Published: (2025)
by: Hajinazar, Samad, et al.
Published: (2025)
Crystal design of altermagnetism
by: Zhou, Zhiyuan, et al.
Published: (2024)
by: Zhou, Zhiyuan, et al.
Published: (2024)
Chirality-Induced Selectivity of Phonon Angular Momenta in Chiral Quartz Crystals
by: Ohe, Kazuki, et al.
Published: (2024)
by: Ohe, Kazuki, et al.
Published: (2024)
Rapid Polymorphic Screening using Sessile Microdroplets: Competitive Nucleation of Mannitol Polymorphs
by: Cedeno, Ruel, et al.
Published: (2024)
by: Cedeno, Ruel, et al.
Published: (2024)
Symmetry-Driven Generation of Crystal Structures from Composition
by: Yin, Shi, et al.
Published: (2026)
by: Yin, Shi, et al.
Published: (2026)
Crystal-Structure Matches in Solid-Solid Phase Transitions
by: Wang, Fang-Cheng, et al.
Published: (2023)
by: Wang, Fang-Cheng, et al.
Published: (2023)
Clarification of the Spontaneous Polarization Direction in Crystals with Wurtzite Structure
by: Fichtner, Simon, et al.
Published: (2025)
by: Fichtner, Simon, et al.
Published: (2025)
Crystal Structure Generation with Autoregressive Large Language Modeling
by: Antunes, Luis M., et al.
Published: (2023)
by: Antunes, Luis M., et al.
Published: (2023)
Compositional Representation of Polymorphic Crystalline Materials
by: Lee, Namkyeong, et al.
Published: (2023)
by: Lee, Namkyeong, et al.
Published: (2023)
Similar Items
-
GEWUM: General Exploration Workflow for the Utopia of Materials: A Unified Platform for Automated Structure Generation, Selection, and Validation
by: Song, Jiexi, et al.
Published: (2026) -
Accelerating Discovery of Ternary Chiral Materials via Large-Scale Random Crystal Structure Prediction
by: Song, Jiexi, et al.
Published: (2025) -
Ab initio Approach to Collective Excitations in Excitonic Insulators
by: Xuan, Fengyuan, et al.
Published: (2025) -
Data-Driven Topological Analysis of Polymorphic Crystal Structures
by: Dey, Sourin, et al.
Published: (2025) -
Exciton-Enhanced Spontaneous Parametric Down-Conversion in Two-Dimensional Crystals
by: Xuan, Fengyuan, et al.
Published: (2023)