Projects

REMI: Reaction Engineering via Materials Informatics

• Representative papers:
• Software:
• Students
  • Miguel Moreno Tenorio (graduate)
  • Cedric Oltramare (undergraduate)

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AIMED: Autonomous and Intelligent Multiscale Extraction of Descriptors

• Representative papers:
• • Hsu, T., Sadigh, B., Bertin, N., Park, C., Chapman, J., Bulatov, V., Zhou, F., “Score-based denoising for atomic structure identification“, npj Computational Materials, July, 2024 PDF

  • Aroboto, B., Chen, S., Hsu, T., Wood, B. C., Jiao, Y., Chapman, J., “Universal and interpretable classification of atomistic structural transitions via unsupervised graph learning“, Applied Physics Letters, September 2023 PDF
    

• Software:
  • Materials-Informatics-Laboratory/SODAS: Toolkit for the characterization of atomistic phase trajectories (github.com)
•  Students
  • Bamidele Aroboto (graduate)
  • Shrijit Banerjee (undergraduate)

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ATLAS: Autonomous and Transferable Large-scale Atomistic Simulations

• Representative papers:
  
• Software:
• Students
  • Lucy Sternberg (graduate)