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  Preparing electronic-structure theory for the exascale

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.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0009-24AA-F Version Permalink: https://hdl.handle.net/21.11116/0000-0009-24AB-E
Genre: Book Chapter

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 Creators:
Carbogno, Christian1, Author           
Blum, Volker2, Author
Kokott, Sebastian1, Author           
Lederer, Hermann3, Author
Marek, Andreas3, Author
Merz, Florian4, Author
Rampp, Markus3, Author
Ren, Xinguo5, Author
Scheffler, Matthias1, Author           
Affiliations:
1NOMAD, Fritz Haber Institute, Max Planck Society, ou_3253022              
2Duke University, Durham, USA, ou_persistent22              
3Max Planck Computing and Data Facility, Garching, Germany, ou_persistent22              
4Lenovo HPC Innovation Center, Stuttgart, Germany , ou_persistent22              
5Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Science, Beijing, China, ou_persistent22              

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 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.

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Language(s): eng - English
 Dates: 20212021
 Publication Status: Issued
 Pages: 3
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: URI: https://www.mpcdf.mpg.de/MPCDF_Brochure_2021
 Degree: -

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Title: High-Performance Computing and Data Science in the Max Planck Society
Source Genre: Book
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Publ. Info: Garching : Max Planck Computing and Data Facility
Pages: 3 Volume / Issue: - Sequence Number: - Start / End Page: 47 - 49 Identifier: -