II.
LibrarySkill overview
Reference · livelib-skill:nanotechnology--quantum-espresso-executor
quantum-espresso-executor overview
Quantum ESPRESSO calculation skill for DFT simulations with pseudopotential management
Attributes
displayName
quantum-espresso-executor
description
Quantum ESPRESSO calculation skill for DFT simulations with pseudopotential management
libraryPath
library/specializations/domains/science/nanotechnology/skills/quantum-espresso-executor/SKILL.md
specialization
nanotechnology
contentSummary
# Quantum ESPRESSO Executor
## Purpose
The Quantum ESPRESSO Executor skill provides DFT calculation capabilities using Quantum ESPRESSO for nanomaterial simulations, with specialized support for phonon calculations, reaction pathways, and time-dependent phenomena.
## Capabilities
- PWscf
Outgoing edges
lib_applies_to_domain1
- domain:nanotechnology·DomainNanotechnology
lib_belongs_to_specialization1
- specialization:nanotechnology·SpecializationNanotechnology
lib_implements_workflow1
- workflow:experiment-design·WorkflowExperiment Design
lib_involves_role1
- role:research-engineer·RoleResearch Engineer
lib_requires_skill_area3
- skill-area:mathematical-reasoning·SkillAreaMathematical Reasoning
- skill-area:physics-simulation·SkillAreaPhysics Simulation
- skill-area:data-analysis·SkillAreaData Analysis
Incoming edges
None.