An AI-native engine for next-generation quantum materials modeling, written from scratch by AI coding agents under the direction and supervision of domain scientists.

Q3 is a self-contained, from-scratch quantum simulation engine. Its first implementation is plane-wave density functional theory (DFT): it computes the ground-state electronic structure of periodic crystals — total energies, forces, stress, and band structures — in modern, readable C++ with a Python layer on top.

If you want to…	Go here
Know what Q3 can do today	Functionality — capabilities by area, each with its validation status
Learn Q3 step by step	Tutorials — eight runnable lessons, from a first calculation to a contribution
Get a job done: install, build, run, fix a failure	How-to Guides — start with the User Guide
Know what Q3 is, and why it exists	Summary
Look up a field, a flag, a limitation or a number	Reference — inputs and outputs, build variables, Known Issues, benchmarks
Understand how Q3 is designed	Explanation — architecture, data model, differentiability, provenance
Read the code	the namespaces, classes and files

The source is on GitHub, under the Apache License 2.0.