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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 103 23

  2. PDynA PDynA Public

    Python package to analyse the structural dynamics of perovskites

    Python 39 3

  3. ElementEmbeddings ElementEmbeddings Public

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

    Python 39 3

  4. CarrierCapture.jl CarrierCapture.jl Public

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

    Jupyter Notebook 54 25

  5. MacroDensity MacroDensity Public

    Python package to analyse electron density & electrostatic potential grids

    Python 85 45

  6. PyTASER PyTASER Public

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

    Python 25 5

Repositories

Showing 10 of 58 repositories
  • 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 Dec 19, 2024
  • SMACT Public

    Python package to aid materials design and informatics

    WMD-group/SMACT’s past year of commit activity
    Python 103 MIT 23 3 0 Updated Dec 18, 2024
  • PDynA Public

    Python package to analyse the structural dynamics of perovskites

    WMD-group/PDynA’s past year of commit activity
    Python 39 MIT 3 0 0 Updated Dec 13, 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 39 MIT 3 5 0 Updated Dec 2, 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 54 MIT 25 2 0 Updated Nov 29, 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 6 MIT 2 3 0 Updated Sep 26, 2024
  • skipspecies Public Forked from lantunes/skipatom

    Distributed representations of ions, inspired by SkipAtom and Skip-Gram

    WMD-group/skipspecies’s past year of commit activity
    Python 5 MIT 5 0 0 Updated Aug 9, 2024
  • CrystalSpace Public

    Dash app to explore crystal chemical space

    WMD-group/CrystalSpace’s past year of commit activity
    Python 6 MIT 1 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 25 MIT 5 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 85 MIT 45 5 0 Updated Dec 25, 2023
View all repositories

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