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KIT Workflows

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  1. DFT-VASP DFT-VASP Public

    This WaNo performs the DFT calculation using Vasp code. In this WaNo, the POTCAR might be automatically generated after reading the POSCAR file.

    Python 7 5

  2. SEI-Model-Active-Learning SEI-Model-Active-Learning Public

    Workflow for Solid Electrolyte Interface (SEI) model within Active Learning approach

    Jupyter Notebook 6 2

  3. Electrolyte-Screening Electrolyte-Screening Public

    Electrolyte-Screening for battery materials

    Python 4

  4. PCU-MOF PCU-MOF Public

    PCU-MOF

    Python 4 1

  5. DFTB-Neural-Net DFTB-Neural-Net Public

    Python 3

  6. DFT-QE DFT-QE Public

    This WaNo performs the DFT calculation using Quantum Espresso code.

    Python 3 1

Repositories

Showing 10 of 42 repositories
  • DFT-VASP Public

    This WaNo performs the DFT calculation using Vasp code. In this WaNo, the POTCAR might be automatically generated after reading the POSCAR file.

    KIT-Workflows/DFT-VASP’s past year of commit activity
    Python 7 5 0 1 Updated Jul 21, 2024
  • KNOW-NOW Public
    KIT-Workflows/KNOW-NOW’s past year of commit activity
    Python 0 0 0 0 Updated Jun 19, 2024
  • SEI-Model-Active-Learning Public

    Workflow for Solid Electrolyte Interface (SEI) model within Active Learning approach

    KIT-Workflows/SEI-Model-Active-Learning’s past year of commit activity
    Jupyter Notebook 6 2 0 0 Updated May 13, 2024
  • Halide-Perovskites Public

    Assessment of Empirical and Semi-Empirical van der Waals Methods for Halide Perovskites into Density Functional Theory Approach

    KIT-Workflows/Halide-Perovskites’s past year of commit activity
    0 0 0 0 Updated Apr 1, 2024
  • EV_curve Public
    KIT-Workflows/EV_curve’s past year of commit activity
    0 MIT 0 0 0 Updated Mar 22, 2024
  • KIT-Workflows/Structure_creation’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Mar 22, 2024
  • QE_jobs Public
    KIT-Workflows/QE_jobs’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Mar 22, 2024
  • KIT-Workflows/EV_Analysis’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Mar 20, 2024
  • Resize Public
    KIT-Workflows/Resize’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Mar 20, 2024
  • KIT-Workflows/FileInput’s past year of commit activity
    0 MIT 0 0 0 Updated Feb 14, 2024

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