PDRA at Cardiff University. Working on CO2 hydrogenation to fuel using modern DFT methods. Software packages in use: ASE, FHI-aims, CatLearn
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CatLearn
CatLearn PublicForked from SUNCAT-Center/CatLearn
A machine learning environment for atomic-scale modeling in surface science and catalysis.
Python
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PyEnergyDiagrams
PyEnergyDiagrams PublicForked from giacomomarchioro/PyEnergyDiagrams
This is a simple script to plot energy profile diagrams using Python and matplotlib.
Python
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