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jwa7/README.md

Hi there, I'm Joe! πŸ‘‹

  • 🌱 I'm a computational chemist / materials scientist working towards my PhD...
  • πŸ“ ... in lab COSMO at EPFL, Lausanne, Switzerland...
  • πŸ”­ ... currently working on integrated machine learning models for electronic structure theory...
  • πŸ“« ... and contactable at joseph.abbott@epfl.ch or find me on X @jwasci !

Pinned

  1. rho_learn rho_learn Public

    Forked from m-stack-org/rho_learn

    A proof-of-concept framework for torch-based learning of the electron density and related scalar fields

    Python 2 1

  2. lab-cosmo/metatensor lab-cosmo/metatensor Public

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

    Python 40 13

  3. Luthaf/rascaline Luthaf/rascaline Public

    Computing representations for atomistic machine learning

    Rust 43 13

  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 20 10