Domain-specific examples

Build upon your understanding of NOMAD's features with domain-specific examples and explanations.

Computational data

Historically a repository for Density Functional Theory calculations, NOMAD now supports a wide range of computational methodologies including advanced many-body calculations and classical molecular dynamics simulations, as well as complex simulation workflows.

• Basics
• MetaInfo
• Schema plugins
• Parser plugins
• FAQs

Experimental data

Thanks to key activities of the FAIRmat project, NOMAD also supports a set of parsing capabilities for standardizing data from materials characterization experiments.

• Electron microscopy
• Photoemission spectroscopy
• X-ray photoemission spectroscopy
• Optical spectroscopy
• Atom probe tomography
• Scanning probe microscopy
• Parse data with pynxtools

Use Cases

NOMAD's plugin system has enabled a growing community of NOMAD users customizing the software to support specific use-case data and pipelines. This section highlights some of the bigger use-case projects.

• nomad-catalysis
• nomad-neb-workflows

Related materials

• For guided learning experiences, see Tutorials > Overview.
• For task-oriented instructions, see How-to guides > Overview.
• For conceptual background, see Explanation > Overview.
• For authoritative technical details, see Reference > Overview.