Projects in Awesome Lists by electronic-structure | Ecosyste.ms: Awesome

Projects in Awesome Lists by electronic-structure

A curated list of projects in awesome lists by electronic-structure .

- Recently synced
- Stars

https://github.com/electronic-structure/SIRIUS

Domain specific library for electronic structure calculations

cuda density-functional-theory electronic-structure-calculations full-potential gpu lapw mpi planewave pseudopotential rocm

Last synced: 09 Jul 2025

https://github.com/electronic-structure/q-e-sirius

SIRIUS-enabled Quantum ESPRESSO

Last synced: 01 Apr 2026