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@psi-lms

Laboratory for Materials Simulations (PSI)

Laboratory for Materials Simulations @ Paul Scherrer Institute (PSI), Switzerland

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  1. tool-layer-raman-ir tool-layer-raman-ir Public

    A tool to compute and visualize Raman-active and Infrared-active modes in layered materials

    JavaScript 5 4

  2. tool-ml-layer-finder tool-ml-layer-finder Public

    Tool to find layers (and low-dimensional structures) within a bulk 3D structure, combined with machine learning to predict if the layer has a low binding energy

    JavaScript 2 3

  3. aiida-backup-script aiida-backup-script Public

    A script for backing up AiiDA databases

    Shell 1 3

  4. hpc-admin hpc-admin Public

    Quality of life scripts for maintenance of the Thor and Thanos clusters

    Shell 1

  5. lowdimfinder lowdimfinder Public

    Python 1

  6. aiida-hydrogen-restorer aiida-hydrogen-restorer Public

    Workflows to detect missing hydrogens in crystal structures from external databases and use DFT simulations to restore them in the correct positions

    Python

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