QAssemble

A pure-Python quantum simulation package for calculating electronic properties of materials using free energy functional approaches.

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Pure Python — install all dependencies with a single pip command. No compilers needed.

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Background on Green's functions, Hartree-Fock, GW approximation, and the Discrete Lehmann Representation.

Flexible dict-based input for one-body hopping/onsite terms and two-body local/non-local Coulomb interactions.

Set up input.ini and run your first TB, HF, or GW calculation in minutes.

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Module-by-module API reference and class diagrams for the serial implementation.

Browse the source code, report issues, and contribute to QAssemble on GitHub.

Contributors