An academic research group based in the Department of Materials at Imperial College London.
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Our focus is data-driven materials design and optimisation for renewable energy applications using open-source tools.
Materials Design Group
Research group in computational chemistry & physics led by @aronwalsh at @ImperialCollegeLondon
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Showing 10 of 64 repositories
- Spinel-chemical-space Public
Data-driven exploration of AB2X4 (X=O, S, Se, Te) spinel chemical space
WMD-group/Spinel-chemical-space’s past year of commit activity - ElementEmbeddings Public
Python package to interact with high-dimensional representations of the chemical elements
WMD-group/ElementEmbeddings’s past year of commit activity - xtalmet Public
Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.
WMD-group/xtalmet’s past year of commit activity - TrapLimitedConversion Public
Computing solar energy conversion limits using the Trap Limited Conversion (TLC) metric
WMD-group/TrapLimitedConversion’s past year of commit activity - CarrierCapture.py Public
Python package to compute trap-assisted electron and hole capture in semiconductors
WMD-group/CarrierCapture.py’s past year of commit activity - PlatonicRep Public
WMD-group/PlatonicRep’s past year of commit activity - 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
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