High-throughput .cif analysis made easy. Visit: https://bobleesj.github.io/cifkit/
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Updated
Jul 7, 2024 - Python
High-throughput .cif analysis made easy. Visit: https://bobleesj.github.io/cifkit/
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaron observables.
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.
A playable remake of Jonathan Coulton's All This Time music video.
Solid State Drive Guide
Interactive visualisations for the variational polaron problem with Makie.
Flask SolidState - Open-Source Web App coded in Flask | AppSeed App Generator
Regrettably, I had to write myself a vasp file parser
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