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@lcbc-epfl

Laboratory of Computational Chemistry and Biochemistry - EPFL

ab initio MD methods based on DFT (cpmd) and their application, adaption and extension to systems of chemical and/or biological interest.

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  1. metal-site-prediction metal-site-prediction Public

    Jupyter Notebook 41 8

  2. allmetal3d allmetal3d Public

    Metal and Water prediction

    JavaScript 10

  3. perovskites-distortions perovskites-distortions Public

    Collection of useful functions to manipulate/analyse the structures of hybrid organic-inorganic perovskites

    Python 7 2

  4. iesm-public iesm-public Public

    Student Version of the Introduction to Electronic Structure course notebooks

    Jupyter Notebook 5 4

  5. mdmc-public mdmc-public Public

    Jupyter Notebook 3 1

  6. evolve evolve Public

    Genetic Algorithm Toolbox for Protein and Enyzme Design

    Python 2

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