jwa7 (Joseph W. Abbott) · GitHub
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Achievements

Achievement: Pair Extraordinairex3Achievement: QuickdrawAchievement: StarstruckAchievement: YOLOAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair Extraordinairex3Achievement: QuickdrawAchievement: StarstruckAchievement: YOLOAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

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Organizations

@lab-cosmo @metatensor

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jwa7/README.md

Hi there, I'm Joe! 👋

  • 🔭 I'm a computational materials scientist working towards my PhD...
  • 📍 ... in lab COSMO at EPFL, Lausanne, Switzerland...
  • 💡 ... focused on building machine learning (ML) surrogate models for density-functional theory...
  • ⚛️ ... with a special interest in targeting electron densities and Hamiltonians...
  • 🌱 ... broadly interested in scientific software and integrated ML-DFT workflows for materials discovery...
  • 📫 ... and contactable at joseph.abbott@epfl.ch or on X @jwasci !

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  1. metatensor/metatrain metatensor/metatrain Public

    Train, fine-tune, and manipulate machine learning models for atomistic systems

    Python 74 37

  2. metatensor/metatensor metatensor/metatensor Public

    Self-describing sparse tensor data format for atomistic machine learning and beyond

    Python 103 28

  3. lab-cosmo/rholearn lab-cosmo/rholearn Public archive

    Learning and predicting electronic densities decomposed on a basis and global electronic densities of states at DFT accuracy

    Python 3 2

  4. metatensor/featomic metatensor/featomic Public

    Computing representations for atomistic machine learning

    Rust 82 18

  5. quantum_HEOM quantum_HEOM Public

    A tool to model the bath relaxation dynamics of open quantum systems by Lindblad and Hierarchical Equations of Motion (HEOM) approaches.

    Python 24 10