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@WMD-group

Materials Design Group

Research group in computational chemistry & physics led by @aronwalsh at @ImperialCollegeLondon

Pinned

  1. CarrierCapture.jl CarrierCapture.jl Public

    Julia package to compute trap-assisted electron and hole capture in semiconductors

    Jupyter Notebook 41 22

  2. SMACT SMACT Public

    Python package to aid materials design and informatics

    Python 62 20

  3. MacroDensity MacroDensity Public

    Python package to analyse electron density & electrostatic potential grids

    Python 74 42

  4. ElementEmbeddings ElementEmbeddings Public

    Python package to interact with high-dimensional representations of the chemical elements

    Jupyter Notebook 22

  5. StarryNight StarryNight Public

    Monte Carlo codes to simulate polar domains in hybrid perovskite solar cells

    C 13 10

  6. PDynA PDynA Public

    Python package to analyse the structural dynamics of perovskites

    Python 20 1

Repositories

Showing 10 of 56 repositories

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