Data Science & Analytics

Quantum ESPRESSO Executor

Quantum ESPRESSO calculation skill for DFT simulations with pseudopotential management

Publisher / source
a5c-ai/babysitter (found on GitHub top repositories)
Upstream record
a5c-ai/babysitter
Version
Version 1
Published
Publication review
Approved for publication · recorded passed scan 2026-11-08
Content fingerprint
471c1cad8989e4a66100c7a7f5e442c29bc73d556831d5adb538fd921a8b0df6