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EmilJaffal/README.md

About Me

Hi! I'm a PhD student at City University in NYC. My research interests are pretty broad, but revolve around using computational methods to explore novel materials and chemistries coupled with experimental validation, although I'm a bench chemist at heart.

I'm currently working with Dr. Anton Oliynyk on synthesizing and studying novel intermetallic compounds. We use electronic structure calculations and machine-learning (ML) methods to predict things like crystal structures, thermodynamics or magnetism. Our research focuses on intermetallics involving uranium, thorium, and rare-earth elements, with every ML model we develop being experimentally validated.

Check out my website here!


Notable Code Projects

# Project Description Publication Link
1 Composition Analyzer/Featurizer (CAF) Generates chemical compositional features and offers a suite of tools for data manipulation, including filtering, sorting, and merging. TBA (Summer 2024)

Popular repositories Loading

  1. VASP-Analyzer VASP-Analyzer Public

    Python 1

  2. EmilJaffal EmilJaffal Public

    Config files for my GitHub profile.

  3. Simple-and-effective-solid-state-structure-featurizer Simple-and-effective-solid-state-structure-featurizer Public

    A comparative study for explainable and interpretable ML models

    Jupyter Notebook

  4. EmilJaffal.github.io EmilJaffal.github.io Public

    Personal website

    HTML

  5. VASP VASP Public

    Jupyter Notebook

  6. CIF-Filter CIF-Filter Public

    Python