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RESEARCH PAPER · Journal of Chemical Information and Modeling · 2023

Data-Driven Score-Based Models for Generating Stable Structures with Adaptive Crystal Cells

Arsen Sultanov, Jean‐Claude Crivello, Tabea Rebafka, Nataliya Sokolovska

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7 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Data-Driven Score-Based Models for Generating Stable Structures with Adaptive Crystal CellsOriginalResponse Matching for Generating Materials and Molecules3A generative model for inorganic materials design498Layered Calcium Borohydride Polymorph via an Enhanced Evolutionary Algorithm0Crystal Structure Prediction Using a Self-Attention Neural Network and Semantic Segmentation1Leveraging generative models with periodicity-aware, invertible and invariant representations for crystalline materials design21How to Efficiently Design 2D Materials for Electrochemical Applications Using Machine Learning2Toward AI ecosystems for electrolyte and interface engineering in solid-state batteries23

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7 direct citing papers saved.

  1. Response Matching for Generating Materials and Molecules

    Journal of Chemical Theory and Computation · 2024-10-04

    Bingqing Cheng

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  2. A generative model for inorganic materials design

    Nature · 2025-01-16

    Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew T. Fowler, Matthew K. Horton, Xiang Fu, Zilong Wang, Aliaksandra Shysheya, Jonathan Crabbé, Shoko Ueda, Roberto Sordillo, Lixin Sun, Jake A. Smith, Bichlien H. Nguyen, Hannes Schulz, Sarah Lewis, Chin-Wei Huang, Ziheng Lu, Yichi Zhou, Han Earl Yang, Hongxia Hao, Jielan Li, Chunlei Yang, Wenjie Li, Ryota Tomioka, Tian Xie

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  3. Layered Calcium Borohydride Polymorph via an Enhanced Evolutionary Algorithm

    ACS Applied Energy Materials · 2025-02-06

    Vladimir S. Baturin, Jean‐Claude Crivello

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  4. Crystal Structure Prediction Using a Self-Attention Neural Network and Semantic Segmentation

    Journal of Chemical Information and Modeling · 2025-04-14

    Wuling Zhao, Minxia Zhou, Jialin Shao, Jingzheng Ren, Yusha Hu, Yulin Han, Yi Man

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  5. Leveraging generative models with periodicity-aware, invertible and invariant representations for crystalline materials design

    Nature Computational Science · 2025-05-09

    Zhilong Wang, Fengqi You

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  6. How to Efficiently Design 2D Materials for Electrochemical Applications Using Machine Learning

    Precision Chemistry · 2025-10-16

    Pawin Iamprasertkun

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  7. Toward AI ecosystems for electrolyte and interface engineering in solid-state batteries

    Science Advances · 2025-11-26

    Zhilong Wang, Wolfgang G. Zeier, Fengqi You

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