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@maurergroup

MaurerGroup

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  1. SchNet-vdW SchNet-vdW Public

    ASE interface to perform dispersion-inclusive geometry optimizations with SchNet interatomic potentials

    Python 5 2

  2. dfttoolkit dfttoolkit Public

    Python routines for pre- and post-processing DFT calculations

    Python 6

  3. deltascf-aims deltascf-aims Public

    An application to automate core level spectroscopy simulations in FHI-aims

    Python 6 1

  4. LightMatter.jl LightMatter.jl Public

    A package to simulate the electronic and temperature effects of light illumination on a metal.

    Julia 3

Repositories

Showing 10 of 39 repositories
  • dfttoolkit Public

    Python routines for pre- and post-processing DFT calculations

    maurergroup/dfttoolkit's past year of commit activity
    Python 6 GPL-3.0 0 11 5 Updated Oct 1, 2026
  • JuLIP.jl Public Forked from JuliaMolSim/JuLIP.jl

    Julia Library for Interatomic Potentials

    maurergroup/JuLIP.jl's past year of commit activity
    Julia 0 26 0 0 Updated Sep 18, 2026
  • LightMatter.jl Public

    A package to simulate the electronic and temperature effects of light illumination on a metal.

    maurergroup/LightMatter.jl's past year of commit activity
    Julia 3 MIT 0 0 11 Updated Sep 16, 2026
  • maurergroup.github.io Public
    maurergroup/maurergroup.github.io's past year of commit activity
    Astro 0 2 0 2 Updated Sep 2, 2026
  • MACE-H Public

    Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages

    maurergroup/MACE-H's past year of commit activity
    Jupyter Notebook 41 MIT 6 0 0 Updated Aug 19, 2026
  • Quoll.jl Public

    Quantum Operator Learning Library (Quoll)

    maurergroup/Quoll.jl's past year of commit activity
    Julia 3 MIT 0 0 1 Updated Jul 26, 2026
  • ACEfriction.jl Public Forked from ACEsuit/ACEfriction.jl

    Machine Learning Friction Tensors with ACE

    maurergroup/ACEfriction.jl's past year of commit activity
    Julia 0 MIT 3 0 0 Updated Jul 3, 2026
  • ACEfrictionCore.jl Public Forked from ACEsuit/ACEfrictionCore.jl

    Minimal ACE implementation exclusively used as a temporary backend of ACEfriction.jl. The package is a combination of reduced versions of the ACE.jl and ACEbonds.jl packages.

    maurergroup/ACEfrictionCore.jl's past year of commit activity
    Julia 0 1 0 0 Updated Jul 3, 2026
  • ML_in_CP_UVie_SS26 Public

    Machine Learning in Computational Physics, SS26

    maurergroup/ML_in_CP_UVie_SS26's past year of commit activity
    Jupyter Notebook 2 0 0 0 Updated Jun 23, 2026
  • coolvib Public

    For a detailed documentation see

    maurergroup/coolvib's past year of commit activity
    Python 0 GPL-3.0 2 1 0 Updated May 13, 2026
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