PhD student in the research groups of Prof Aron Walsh & Dr Alex Ganose
- London
- @ireaml
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SMTG-Bham/ShakeNBreak
SMTG-Bham/ShakeNBreak PublicDefect structure-searching employing chemically-guided bond distortions
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compchem_toolkit
compchem_toolkit PublicCollection of python functions to work with aiida, pymatgen and VASP. Designed to speed up input setup and output analysis.
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SMTG-Bham/doped
SMTG-Bham/doped Publicdoped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-fr…
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WMD-group/MacroDensity
WMD-group/MacroDensity PublicPython package to analyse electron density & electrostatic potential grids
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