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Please also check gitlab.com/sirmarcel
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sirmarcel/README.md

Hello! 👋

I'm Marcel, a postdoc in the COSMO Lab at EPFL in Lausanne, Switzerland. Previously, I was a doctoral student at the Fritz Haber Institute (in the NOMAD Laboratory) and TU Berlin (in the Machine Learning group).

I work on applying machine learning to materials science problems. Recently, I've particularly focused on machine-learning potentials and the computation of thermal conductivities with the Green-Kubo method. To this end, I've written the glp and gkx packages, both using jax.

Here are some other places on the internet you can have a look at:

Thanks for stopping by 🚀

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  1. glp glp Public

    tools for graph-based machine-learning potentials in jax

    Python 17 2

  2. gkx gkx Public

    Green-Kubo + JAX + MLPs = Anharmonic Thermal Conductivities Done Fast

    Python 4

  3. renderables renderables Public

    build your own static site generator

    Python 1

  4. gknet-archive gknet-archive Public

    data and code for "heat flux for semi-local machine-learning potentials"

    Shell 2

  5. doctor-archive doctor-archive Public

    my dissertation

    TeX 3

  6. eqt-archive eqt-archive Public

    data and code for "Probing the effects of broken symmetries in machine learning"

    Jupyter Notebook 1