Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
Solid State Drive Guide
Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaron observables.
High-throughput.cif analysis made easy. Visit:https://bobleesj.github.io/cifkit/
Flask SolidState - Open-Source Web App coded in Flask | AppSeed App Generator
A playable remake of Jonathan Coulton's All This Time music video.
Interactive visualisations for the variational polaron problem with Makie.
Regrettably, I had to write myself a vasp file parser
The given code can be used to calculate the number of crystalline molecules, if you want to study the phenomena of dissolution or growth of a crystal and you have trajectory and topology files for the system.
Scripts for processing CASTEP output files.
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