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/

A JAX-based Differentiable Density Functional Theory Framework for Materials

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.

My take on building a low-power, hybrid guitar amp

Python package calculating relativistic magnetic interactions for the generalised Heisenberg model.

Intelligent cron job script which automatically decides how often to trim one or more SSD partitions

Interactive React/TypeScript platform delivering data-driven visualizations and analytics of next-generation battery technologies—from Li-ion variants (NMC, LFP, high-nickel, silicon-anode) and sodium-ion to solid-state, redox-flow & zinc-air chemistries, plus AI-driven BMS, fast-charging, second-life reuse and grid-scale ESS. Try interactive demo!

Scripts for processing CASTEP output files.