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@WMD-group

Materials Design Group

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

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  1. SMACT SMACT Public

    Python package to aid materials design and informatics

    Python 83 21

  2. PDynA PDynA Public

    Python package to analyse the structural dynamics of perovskites

    Python 26 1

  3. ElementEmbeddings ElementEmbeddings Public

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

    Python 26

  4. CarrierCapture.jl CarrierCapture.jl Public

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

    Jupyter Notebook 46 22

  5. MacroDensity MacroDensity Public

    Python package to analyse electron density & electrostatic potential grids

    Python 82 44

  6. PyTASER PyTASER Public

    Python package to simulate differential absorption spectra of crystals from first principles

    Python 24 4

Repositories

Showing 10 of 57 repositories
  • SMACT Public

    Python package to aid materials design and informatics

    WMD-group/SMACT’s past year of commit activity
    Python 83 MIT 21 8 2 Updated Jun 27, 2024
  • WMD-group.github.io Public

    Group website

    WMD-group/WMD-group.github.io’s past year of commit activity
    Ruby 7 2 0 1 Updated Jun 26, 2024
  • ElementEmbeddings Public

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

    WMD-group/ElementEmbeddings’s past year of commit activity
    Python 26 MIT 0 4 0 Updated Jun 24, 2024
  • TrapLimitedConversion Public

    Computing solar energy conversion limits using the Trap Limited Conversion (TLC) metric

    WMD-group/TrapLimitedConversion’s past year of commit activity
    Python 5 MIT 1 1 0 Updated Jun 21, 2024
  • PDynA Public

    Python package to analyse the structural dynamics of perovskites

    WMD-group/PDynA’s past year of commit activity
    Python 26 MIT 1 1 0 Updated Jun 14, 2024
  • CarrierCapture.jl Public

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

    WMD-group/CarrierCapture.jl’s past year of commit activity
    Jupyter Notebook 46 MIT 22 0 0 Updated Jun 11, 2024
  • CrystalSpace Public

    Dash app to explore crystal chemical space

    WMD-group/CrystalSpace’s past year of commit activity
    Python 4 MIT 0 0 0 Updated Apr 16, 2024
  • PyTASER Public

    Python package to simulate differential absorption spectra of crystals from first principles

    WMD-group/PyTASER’s past year of commit activity
    Python 24 MIT 4 1 0 Updated Feb 20, 2024
  • MacroDensity Public

    Python package to analyse electron density & electrostatic potential grids

    WMD-group/MacroDensity’s past year of commit activity
    Python 82 MIT 44 5 0 Updated Dec 25, 2023
  • polyhedron_distortion Public Forked from KazMorita/polyhedron_distortion
    WMD-group/polyhedron_distortion’s past year of commit activity
    Python 1 MIT 4 0 0 Updated Nov 18, 2023
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