NOMAD 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.

• Quick Start: Uploading computational data
• Standard and custom computational workflows
• Guide to computational MetaInfo
• Guide to computational schema plugins
• Guide to computational parser plugins
• H5MD: Uploading custom molecular dynamics data
  • How-to
  • Explanation
  • Reference

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.

• NeXus
• Guide to the pynxtools parser library
• Electron microscopy
• Photoemission spectroscopy
• X-ray photoemission spectroscopy
• Optical spectroscopy
• Atom probe tomography
• Scanning tunneling spectroscopy

One last thing

If you can't find what you're looking for in our guides, contact our friendly team for personalized help and assistance. Don't worry, we're here to help and learn what we're doing wrong!