Skip to content
View sirmarcel's full-sized avatar
👀
Please also check gitlab.com/sirmarcel
👀
Please also check gitlab.com/sirmarcel
51 followers · 22 following

Achievements

Achievement: Pair ExtraordinaireAchievement: Pull Sharkx2Achievement: QuickdrawAchievement: StarstruckAchievement: Arctic Code Vault Contributor
BetaSend feedback

Achievements

Achievement: Pair ExtraordinaireAchievement: Pull Sharkx2Achievement: QuickdrawAchievement: StarstruckAchievement: Arctic Code Vault Contributor
BetaSend feedback

Highlights

  • Pro
Block or Report

Block or report sirmarcel

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
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 🚀

Pinned

  1. glp glp Public

    tools for graph-based machine-learning potentials in jax

    Python 16 1

  2. gkx gkx Public

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

    Python 2

  3. glp-archive glp-archive Public

    data and code for "stress and heat flux via automatic differentiation"

    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. cmlkit cmlkit Public

    tools for machine learning in condensed matter physics and quantum chemistry

    Python 33 6