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  • Imperial College London
  • 80 Wood Lane, London, United Kingdom
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  1. Spica-Vir.github.io Spica-Vir.github.io Public

    Technical Documents

    Shell

  2. DFT-scripts DFT-scripts Public

    Contains useful classes, scripts developed during periodic DFT research. Note the generality is an important consideration.

    Python

  3. crystal_functions crystal_functions Public

    Forked from crystal-code-tools/CRYSTALpytools

    This repository contains functions to be used with CRYSTAL.

    Jupyter Notebook

  4. crystal_shape_control crystal_shape_control Public

    Forked from cmsg-icl/crystal_shape_control

    The repository for Imperial-BASF research project on multi-scale modelling of molecular crystals.

    Jupyter Notebook