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Crystal structure prediction
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Current data, viewed at
Yearly
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Keyword
keyword
Crystal structure prediction
RIS
0.001
(Research Intensity Score)
Papers
130
Top papers
MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules
2025 · 214 citations
Crystal structure generation with autoregressive large language modeling
2024 · 156 citations
MAGUS: machine learning and graph theory assisted universal structure searcher
2023 · 136 citations
Nonmetal Organic Frameworks Exhibit High Proton Conductivity
2025 · 40 citations
Deep reinforcement learning for inverse inorganic materials design
2024 · 46 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
First-Principlesand Machine Learning Study of ML- P 4/ mmm -LaBr2: A Promising FlexibleElectronic Material
2026
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