Projects
Discovery and design of high entropy materials
- Representative papers:
- Software: Materials-Informatics-Laboratory/Catalyst: Generalized graph neural network training and analysis software
- Students
- Miguel Moreno Tenorio (graduate)
- Lucy Sternberg (graduate)
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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
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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:
- Students
- Bamidele Aroboto (graduate)
- Aidan Phillips (undergraduate)
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Disordered materials design
- Representative papers:
- Software:
- Students
- Lucy Sternberg (graduate)
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Defect engineering of metal organic framework catalysts
- Representative papers:
- Software:
- Students
- Miguel Tenorio (graduate)