solid-state

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

A JAX-based Differentiable Density Functional Theory Framework for Materials

High-throughput .cif analysis made easy. DOI: https://doi.org/10.21105/joss.07205

An interactive Python script that computes the minimum atomic bonding distances from sites, generating histograms and pair counts.

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

EAB-GENESIS: Maintenance-free solid-state energy converter (V2.3). Hardened via Symbiotic Architect Methodology (DOI: 10.5281/zenodo.18877077). Logic-validated active stochastic resonance & exponential cone topology

Scripts for processing CASTEP output files.