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29 followers · 23 following

Achievements

Achievement: QuickdrawAchievement: Pair Extraordinairex2Achievement: StarstruckAchievement: YOLOAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

Achievements

Achievement: QuickdrawAchievement: Pair Extraordinairex2Achievement: 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 chemist / materials scientist working towards my PhD...
  • 📍 ... in lab COSMO at EPFL, Lausanne, Switzerland...
  • 💡 ... currently working on machine learning the real-space densities of electronic states in condensed matter...
  • 🌱 ... whilst more broadly interested in building software for integrated ML models for electronic structure theory...
  • 📫 ... and contactable at joseph.abbott@epfl.ch or on X @jwasci !

Pinned Loading

  1. lab-cosmo/rholearn lab-cosmo/rholearn Public

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

    Python 2

  2. metatensor/metatensor metatensor/metatensor Public

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

    Python 57 19

  3. metatensor/featomic metatensor/featomic Public

    Computing representations for atomistic machine learning

    Rust 49 14

  4. 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 21 10