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@QuantumMaterialsModelling Quantum Materials Modelling

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    8 repositories

    • bands4vasp

      Public
      bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi surfaces, Fermi vectors …
      Fortran
      •8•15•2•0•Updated May 18, 2026May 18, 2026

    • AiSurf-Automated-Identification-of-Surface-images

      Public
      AiSurf is an open-source package for analyzing surface microscopy images, based on established computer vision and machine learning techniques. It is designed t…
      machine-learningafmstm
      machine-learningafmstmpattern-recognitionsiftmicroscopy
      Jupyter Notebook
      •2•14•0•0•Updated Oct 2, 2025Oct 2, 2025

    • leopold

      Public
      Python
      •
      Apache License 2.0
      •0•11•0•0•Updated Jun 19, 2025Jun 19, 2025

    • PolVacPat

      Public
      Python
      •0•1•0•0•Updated May 15, 2024May 15, 2024

    • NF-DiagMC

      Public
      C++
      •
      MIT License
      •0•1•0•0•Updated Apr 15, 2024Apr 15, 2024

    • vasp-phonopy-sscha

      Public
      Python
      •
      MIT License
      •5•13•5•0•Updated Apr 12, 2023Apr 12, 2023

    • PolConfML

      Public
      Jupyter Notebook
      •0•4•0•0•Updated May 23, 2022May 23, 2022

    • UnfoldingPatch4vasp

      Public
      Patch to include the Unfolding algortihm in VASP
      4•8•1•1•Updated Nov 16, 2021Nov 16, 2021
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