PyQED documentation#
PyQED is open-source research software for light–matter interactions, quantum dynamics, spectroscopy, open quantum systems, and electronic-structure workflows. These pages are organized around tasks: install the package, run a small calculation, choose a method, inspect its evidence, and reproduce a result.
Important
PyQED is active research software. APIs and numerical paths have different maturity levels. Check Capability maturity and the limitations on each method page before using a workflow in production research.
Start here#
Installation – create an isolated environment and verify it.
Five-minute quickstart – run a native H2 restricted Hartree–Fock calculation.
PyQED user guide – choose a scientific task from the complete user guide.
Tutorials and learning paths – follow a task-oriented learning path.
Examples gallery – find an executable repository example.
Capability maturity – understand Beta and Experimental status.
Benchmarks and validation – reproduce validation and performance evidence.
Citing PyQED – cite the exact code and method used.
User guide#
The PyQED user guide is the main map of the documentation. It groups existing material into foundations, electronic structure, quantum dynamics, open systems, light–matter models, and tensor networks. Start with how PyQED calculations work if you are moving between method families: it explains the shared model–build–solve–validate workflow without making you learn every module first.
Getting started
Reference and evidence