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Crystal structure prediction
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Crystal structure prediction
RIS
0.001
(Research Intensity Score)
Papers
54
Top papers
Crystal structure generation with autoregressive large language modeling
2024 · 131 citations
MAGUS: machine learning and graph theory assisted universal structure searcher
2023 · 128 citations
Accelerating materials property prediction via a hybrid Transformer Graph framework that leverages four body interactions
2025 · 36 citations
An accurate and transferable machine learning potential for carbon
2020 · 275 citations
Crystal Structure Prediction Using Generative Adversarial Network with Data-Driven Latent Space Fusion Strategy
2024 · 18 citations
A Comprehensive Review of Machine-Learning Approaches for Crystal Structure/Property Prediction
2025 · 9 citations
Assessing the Structural Diversity of Form II Red Phosphorus via Stepwise Crystal Structure Search
2024 · 16 citations
Diffusion probabilistic models enhance variational autoencoder for crystal structure generative modeling
2024 · 25 citations
Evaluation of intermolecular interactions in Co-crystals of 4-cyanopyridine with fluorine-substituted benzoic acid: Insights from experimental and theoretical methods
2026 · 1 citations
Newest papers
Evaluation of intermolecular interactions in Co-crystals of 4-cyanopyridine with fluorine-substituted benzoic acid: Insights from experimental and theoretical methods
2026 · 1 citations
Physics-Informed Generative Inverse Design of Stable Vanadium Oxide Crystals with First-Principles Validation
2026
Aqua Informatica Platform: Prediction of Selective Crystal Filters for Water Purification Based on Informational Resonance (Kedem-Cycle Ω Theory, Geometry of the Hyperbolic Kaleidocycle L8a21)
2026
Aqua Informatica Platform: Prediction of Selective Crystal Filters for Water Purification Based on Informational Resonance (Kedem-Cycle Ω Theory, Geometry of the Hyperbolic Kaleidocycle L8a21)
2026
Machine learning-enabled discovery of refractory high entropy alloys on curated data
2026
Evaluating the polymorphism and stability of Ribavirin under extreme conditions
2026
Crystal clear. Engineering complexity
2026
Adaptive fine-tuning of foundation models for crystal structure prediction: Discovery of high-pressure phases in the CaFeNi system
2026
Understanding and rationalizing the structure of ionic solids by computational application of Beck's extended coordination number rule
2026
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