NOMAD Laboratory


Jan 27, 2017

New Tools Developed at NOMAD Hackathon

The NOMAD Hackathon, held 18 - 20 Jan 2017 at the Berlin Big Data Centre, was a great success!

There were 26 attendees at the Hackathon and all those who attended showed great dedication and skills.

We focused on developing the following projects:

  • VQuery (graphical-user-interface for queries, includes interface with metadata browser),
  • DataBrowser (analyzing result of queries I: metadata browser populated with actual data),
  • GraphBrowser (analyzing result of queries II: "image gallery"),
  • HStats (analyzing result of queries III: statistics),
  • PTable (analyzing result of queries IV: for queries over the periodic table, visualize the result in a periodic table),
  • ErrorBars (error bar estimator for different calculations settings over all elements),
  • Rinse & Repeat (similarity-based embedding),
  • BI-SIS (sure-independent-screening for octet binaries),
  • ClusterE (cluster expansion),
  • LearnLat (prediction of lattice constants for octet binaries and (IV group) ternary),
  • ActiCO2 (carbon dioxide activation on surfaces),
  • FF-Fit (tool to determine if a dataset is large/complex enough for fitting a predictive force field), and
  • Reporter 1 & 2 (data-integration of the repository in the archive).

Some of the tools that were developed at the Hackathon will be presented at our second Industry Meeting in Hamburg (06 - 07 Feb 2017). Other tools will be presented at future meetings.