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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Repositories
Showing 10 of 61 repositories
- 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 - PyTASER Public
Python package to simulate differential absorption spectra of crystals from first principles
WMD-group/PyTASER’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 - .github Public
WMD-group/.github’s past year of commit activity - Evo-ToT-reasoning-prompts Public Forked from lizhenzhupearl/Evo-ToT-reasoning-prompts
The guidance of using evolutionary tree-of-thought to guide the scientifc hypotheses generation using various LLMs.
WMD-group/Evo-ToT-reasoning-prompts’s past year of commit activity
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