NOMAD Laboratory


Aug 5, 2018

Scheffler Plenary at CCP2018

NOMAD Coordinator Matthias Scheffler joined international experts in computational physics at CCP2018, the XXX IUPAP Conference on Computational Physics, to give a plenary talk on 'Data-Driven Materials-Science – Rethinking the Pursuit of Understanding'. 

CCP2018 was the 30th in the CCP conference series, continuing a long-standing tradition of bringing together the broad international computational physics community to present contemporary research results and consider the vision of where the field is going in future.

In his plenary, Matthias spoke about the discovery of:

  • improved or even novel - not just new - materials, or
  • hitherto-unknown properties of known materials

to meet a specific scientific or industrial requirement, one of the most exciting and economically important applications of high-performance computing to date. He discussed methods and applications to extract knowledge from the immense volume of data now available, in particular how to spot yet unseen patterns or structures in the data, by identifying the key atomic and collective physical actuators by compressed sensing and machine learning. 

The talk covered methodologies for describing and predicting 2D topological insulators, metal/insulator classification, catalytic CO2 activation, and more, many related to NOMAD's Big-Data Analytics activities.