scalable molecular simulation

gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calculations

ORCA .out, GPAW .txt parser and many more

Interfaces for atomistic simulation codes and workflows

deploying GPAW DFT software with docker & Alpine Linux

Material simulation tutorial on DFT for high school students to find alternative, green energy source to fossil fuels.