ADBurnett's repositories
arcdocs.github.io
ARC Documentation Jupyter Book repository
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chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
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nelly
Nelly is a package for extracing refractice indices and conductivities from time-domain terahertz spectroscopy data
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PDielec
PDielec is a Python package for post-processing solid state QM and MM calculations of Infrared Spectra
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TutorialAtomate2Forcefields
Tutorial to learn basic features of atomate2
Language:Jupyter NotebookBSD-3-Clause000
Useful_Notebooks
A selection if Useful Jupyter notebooks focussing on THz spectroscopy and DFT Calculations