Description
The novel materials discovery laboratory NOMAD is an online, open data-infrastructure tailored towards searching and publishing materials science data. NOMAD already supports an array of computational codes and techniques, with over 50 parsers that automatically extract essential (meta)data from the raw output of standard calculations.
Traditionally, the NOMAD repository has focused on contributions from Density Functional Theory calculations, accumulating over 12.5 million such entries. More recently, this framework has been expanded considerably, now supporting advanced many-body calculations and classical molecular dynamics simulations, as well as complex simulation workflows. In this context, a variety of new features have been implemented into NOMAD, including precision queries that facilitate data quality assessment and a schema for defining molecular topologies and system hierarchies.
Here, we will present an interactive poster that provides a general overview of the NOMAD interface, including demonstrations of the basic search functionalities and the potential for customization via well-defined use-cases. We also highlight the newest NOMAD features in the context of computational data and provide a roadmap of the expected developments in the coming year.
| Full name | Joseph Rudzinski |
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