FAIR-DI e.V.
FAIRmat
NOMAD Laboratory
NOMAD CoE
NOMAD Centre of Excellence

Bringing computational materials science to exascale

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  • Bringing DFT, Green-function methods, and coupled-cluster theory to exascale
  • Supporting entire code families, covering planewaves (PW), linearized augmented PWs, and atom-centred orbitals
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  • Enabling exascale computations by advanced workflows
  • Covering high-throughput computations and beyond-DFT workflows
  • Learn how to work with ASE/ASR and FireWorks in this tutorial

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  • Advance the NOMAD AI toolkit and bring it towards near-real-time performance
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Jun 15, 2017

IMPRESS Workshop at AALTO a Success


The NOMAD-supported Interface Morphology Prediction with Robust and Efficient Structure Search (IMPRESS) workshop was held at Aalto University in Finland on 7-9 June 2017, with additional support from CECAM, Psi-K and the Academy of Finland.

The IMPRESS workshop was for the first time held at Aalto University in Helsinki this year. The international workshop brought together experts in traditional atomistic structure search with experts on novel search techniques and machine learning to discuss applications on interface morphology, the performance of state-of-the-art techniques and outstanding challenges in the field. Participants from 12 countries convened at the Aalto Design Factory for three days of a discussion-filled academic programme. Invited speakers moderated active debates on new generation methodologies and collected valuable feedback, which featured immediate suggestions for future work. Postgraduate students, who presented 30% of the workshop contributions, found the discussions particularly stimulating; their new ideas are expected to accelerate the development of this field in the years to come.

On-going discussion session

Uffe Furlig Larsen (Hammer group, Aarhus University) wins the Best Poster prize