Schema Explanation

This section contains hand-written guidance for understanding the existing schema. It complements the generated Schema Navigation reference and focuses on concepts, rationale, traversal, and usage of current schema components.

Simulation Entry

Guidance for how Simulation, BaseSimulation, and Program are structured and used in the NOMAD archive.

Model System

Conceptual guidance for modeling system structure and ownership.

• Representation Architecture
• Electronic States

Model Method

• Model Method Overview: explanation of how method information is organized in the existing hierarchy.
• Basis Sets: domain-specific explanation of basis set families and modeling conventions.