English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
Add to Basket
  Local TagsRelease HistoryDetailsSummary

Released
Book Chapter

Preparing electronic-structure theory for the exascale

MPS-Authors
/persons/resource/persons21413

Carbogno,  Christian
NOMAD, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons126963

Kokott,  Sebastian
NOMAD, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons22064

Scheffler,  Matthias
NOMAD, Fritz Haber Institute, Max Planck Society;

External Resource
No external resources are shared
Fulltext (restricted access)
There are currently no full texts shared for your IP range.
Fulltext (public)
There are no public fulltexts stored in PuRe
Supplementary Material (public)
There is no public supplementary material available
Citation

Carbogno, C., Blum, V., Kokott, S., Lederer, H., Marek, A., Merz, F., et al. (2021). Preparing electronic-structure theory for the exascale. In High-Performance Computing and Data Science in the Max Planck Society (pp. 47-49). Garching: Max Planck Computing and Data Facility. Retrieved from https://www.mpcdf.mpg.de/MPCDF_Brochure_2021.


Cite as: https://hdl.handle.net/21.11116/0000-0009-24AA-F
Abstract
With the upcoming deployment of (pre-)exascale high-performance computers, the computational materials science community is facing several challenges. Nonetheless, harvesting this huge amount of computational power enables urgently needed opportunities. Together with the MPCDF and several European partners, the NOMAD Laboratory of the FHI has initiated, installed, and is leading the NOMAD Center of Excellence (CoE) to enable the next generation of electronic-structure calculations. Key items of the NOMAD CoE are extreme-scale data and exascale computing.