Bootstrapped Ensemble of Equivariant Graph Neural Networks (BEE-NET), a machine-learning model trained to predict the Eliashberg spectral function and superconducting critical temperature.

Solvation model for the plane wave DFT code VASP.

Accelerating superconductor discovery through tempered deep learning of the electron-phonon spectral function

Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

Visualizations

Genetic Algorithm for Structure and Phase Prediction