Crystal

Ask about this topic

Recent momentum

-50%

2 papers in the last 28 days · 0.1% of indexed attention

Twelve weeks of publication activity for this topic as it is defined today.

Also in Crystal Structure Prediction

Neighbouring directions

Crystal Structure PredictionMaterials DiscoveryMaterials ScienceCryo-Electron Microscopy

Weekly history

Recent digests

What was published in this topic, kept on the site without email delivery.

Period ending 2026-09-07

2 new papers

A weekly snapshot of new work published in Crystal.

28 papers

Latest in Crystal

Open your feed →
CardsList

  1. Text-guided flow matching enables sample-efficient crystal structure generation

    Sep 1, 2026Wentao LiCrystal Structure PredictionCrystal

  2. Learning Materials Properties from Scarce Labels and Unlabeled Crystals

    Aug 31, 2026Wentao Li, Yizhe Chen, Jiangjie Qiu +3Materials DiscoveryCrystal

  3. Symmetry-Breaking De Novo Crystal Generation via Markovian Jump Diffusion

    Aug 13, 2026Van Khoa Nguyen, Alexandros KalousisCrystal Structure PredictionCrystal

  4. DynaCrys: Crystal Generation with Dynamic Space-Group Diffusion

    Aug 7, 2026Zhuotao Jin, Xiaoyun Wang, Nicholas Brawand +5Crystal Structure PredictionCrystal

  5. From Test-Time Scaling to Reusable Memory: Measuring Crystallization in Text-to-SQL

    Aug 7, 2026Jiaqian Wang, Yutao Qi, Wenjin Hou +2Text-To-SqlTest-Time Scaling

  6. CrystalGRPO: Target-Aligned and Coverage-Preserving Reinforcement Learning for Flow-Based Crystal Structure Prediction

    Aug 6, 2026Kaixiang Su, Hongfei Xue, Qiang ZhuCrystal Structure PredictionCrystal

  7. Dual-Level Atomic and Coordination Geometry Learning for Crystal Property Prediction Using Graph Neural Networks

    Jul 17, 2026Sanjay ChakrabortyCrystal Structure PredictionMolecular Property Prediction

  8. Progressive Crystallization: Turning Agent Exploration into Deterministic, Lower-Cost Workflows in Production

    Jul 8, 2026Arun MalikAgentic WorkflowsWorkflow Automation and Optimization

  9. Aperture-aware Dispersion 5-D Light-field Imaging Spectrometer

    Jul 6, 2026Chenglong Huang, Tao Lv, Jianing Yang +3Crystal

  10. Towards Physical Intuitions for Alignment Dynamics: A Case Study With Randomness Crystallization

    Jun 29, 2026Kunal Samanta, Ari Holtzman, Peter WestPhase TransitionsLarge Language Model Alignment

  11. The CRISTAL Method: Neurosymbolic analysis from AI-synthesized world models

    Jun 29, 2026Rafael Kaufmann, Felix Neubürger, Michael Walters +2Data Science AgentsLlm-Driven

  12. Optimizing Expert-Designed Crystal Graph Networks for Band-Gap Prediction with an Autonomous LLM Research Loop

    Jun 29, 2026Chenmu Zhang, Boris I. YakobsonCrystalMolecular Property Prediction

  13. Surrogate-Gated Generation and Foundation-Model Embeddings for Bayesian Materials Design

    Jun 26, 2026Sk Md Ahnaf Akif Alvi, Jan Janssen, Danny Perez +2Materials DiscoveryCrystal

  14. Substitution-Based Analysis of Structural Novelty for Generative Models of Materials

    Jun 22, 2026Masahiro Negishi, Aron WalshCrystal Structure PredictionCrystal

  15. SVGym (SciVerseGym): An Environment for Reinforcement Learning and Bayesian Optimization in Crystal Discovery

    Jun 21, 2026Bin CaoCrystalMaterials Discovery

  16. LapidaryEngine: Fully Conversational Crystal Generation

    Jun 12, 2026Yusei Ito, Yuta Suzuki, Tomoya Murata +1CrystalLarge Language Model Generation

  17. MechLens: Late Crystallization of Factual Knowledge Explains Intervention Effectiveness in Language Models

    Jun 6, 2026Xueping GaoFactual RecallCrystal

  18. Latent Diffusion Pretraining for Crystal Property Prediction

    May 30, 2026Shrimon Mukherjee, Kishalay Das, Partha Basuchowdhuri +2Crystal Structure PredictionCrystal

  19. Composable Crystals: Controllable Materials Discovery via Concept Learning

    May 14, 2026Nian Liu, Yuwei Zeng, Ryoji Kubo +7CrystalCrystal Structure Prediction

  20. Crys-JEPA: Accelerating Crystal Discovery via Embedding Screening and Generative Refinement

    May 14, 2026Nian Liu, Nikita Kazeev, Stephen Gregory Dale +8CrystalMolecular Generation

  21. CrystalREPA: Transferring Physical Priors from Universal MLIPs to Crystal Generative Models

    May 9, 2026Chengqian Zhang, Yucheng Jin, Duo Zhang +2CrystalInteratomic Potentials

  22. SLayerGen: a Crystal Generative Model for all Space and Layer Groups

    May 7, 2026Rees Chang, Andrew Novick, Ryan P Adams +1CrystalMaterials Science

  23. VibroML: an automated toolkit for high-throughput vibrational analysis and dynamic instability remediation of crystalline materials using machine-learned potentials

    Apr 30, 2026Rogério Almeida Gouvêa, Gian-Marco RignaneseCrystal Structure PredictionInteratomic Potentials

  24. Crystal structure prediction using graph neural combinatorial optimization

    Apr 27, 2026Stavros Gerolymatos, J. Kyle Brubaker, Martin J. A. Schuetz +1Crystal Structure PredictionCrystal

  25. Crystal Fractional Graph Neural Network for Energy Prediction of High-Entropy Alloys

    Apr 26, 2026Takanori Kotama, Yang HuangCrystal Structure PredictionFirst-Principles Calculation

  26. Neural surrogates for crystal growth dynamics with variable supersaturation: explicit vs. implicit conditioning

    Apr 23, 2026Matteo Rigoni, Daniele Lanzoni, Francesco Montalenti +1Surrogate ModelingCrystal

  27. Finetuning-Free Diffusion Model with Adaptive Constraint Guidance for Inorganic Crystal Structure Generation

    Apr 14, 2026Auguste de Lambilly, Vladimir Baturin, David Portehault +4Crystal Structure PredictionCrystal

  28. NextCrystal: a Symmetry-Driven Generative Framework for Crystal Structure Prediction

    Feb 19, 2026Jinming Mu, Lixin He, Xudong Zhu +1Crystal Structure PredictionCrystal