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Projects in Awesome Lists tagged with koopmans-functionals

A curated list of projects in awesome lists tagged with koopmans-functionals .

https://github.com/epfl-theos/koopmans-qe-utils

Utilities related to running Koopmans-compliant functionals with Quantum ESPRESSO

electronic-structure koopmans-functionals quantum-espresso

Last synced: 08 Apr 2026

https://github.com/elinscott/ase_koopmans

Fork of ASE https://gitlab.com/ase/ase with added support for performing Koopmans functional calculations with Quantum ESPRESSO

atomic-simulation-environment koopmans-functionals

Last synced: 21 Jan 2026

https://github.com/epfl-theos/koopmans-kcp

Implementation of Koopmans functionals with full orbital optimization in Quantum ESPRESSO v4.1

electronic-structure koopmans-functionals quantum-espresso

Last synced: 18 Feb 2026