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@cmsg-icl

Computational Materials Science Group ICL

The Computational Materials Science Group at Imperial College London

Popular repositories Loading

  1. web web Public

    CMSG Website

    HTML 1

  2. crystal_shape_control crystal_shape_control Public

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

    Jupyter Notebook 1 1

  3. ml-surface-adsorption ml-surface-adsorption Public

    This repository contains tools to develop a Machine Learning algorithm for surface adsorption

    Jupyter Notebook 1

  4. DeepRL-materials-opt DeepRL-materials-opt Public

    This repository contains the repository to build a DeepRL model to optimise materials.

    Python 2

  5. photoemission photoemission Public

    This repository contains code to be used with the photoemission module of the OptaDOS code.

    Jupyter Notebook 2

  6. density-matrix density-matrix Public

    This repository contains tests about density matrix related ideas.

    Jupyter Notebook 1

Repositories

Showing 9 of 9 repositories
  • HPC-job-submission Public

    Job submission scripts for clusters and work station

    cmsg-icl/HPC-job-submission’s past year of commit activity
    Shell 0 MIT 3 0 0 Updated Oct 2, 2024
  • crystal_shape_control Public

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

    cmsg-icl/crystal_shape_control’s past year of commit activity
    Jupyter Notebook 1 MIT 1 0 0 Updated Feb 2, 2024
  • CRYSTALpytools Public Forked from bcamino/CRYSTALpytools

    This repository contains functions to be used with CRYSTAL.

    cmsg-icl/CRYSTALpytools’s past year of commit activity
    Jupyter Notebook 0 MIT 20 0 0 Updated Mar 13, 2023
  • solid-solutions Public

    This repository contains work on the generation of solid solutions.

    cmsg-icl/solid-solutions’s past year of commit activity
    Jupyter Notebook 0 MIT 2 0 1 Updated Feb 13, 2023
  • density-matrix Public

    This repository contains tests about density matrix related ideas.

    cmsg-icl/density-matrix’s past year of commit activity
    Jupyter Notebook 0 MIT 1 0 0 Updated May 31, 2022
  • ml-surface-adsorption Public

    This repository contains tools to develop a Machine Learning algorithm for surface adsorption

    cmsg-icl/ml-surface-adsorption’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated Feb 16, 2022
  • DeepRL-materials-opt Public

    This repository contains the repository to build a DeepRL model to optimise materials.

    cmsg-icl/DeepRL-materials-opt’s past year of commit activity
    Python 0 2 0 0 Updated Feb 4, 2022
  • photoemission Public

    This repository contains code to be used with the photoemission module of the OptaDOS code.

    cmsg-icl/photoemission’s past year of commit activity
    Jupyter Notebook 0 2 0 0 Updated Jan 27, 2022
  • web Public

    CMSG Website

    cmsg-icl/web’s past year of commit activity
    HTML 1 0 0 0 Updated Jun 28, 2021

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