Record #909978

Simulation and Data Laboratory Quantum Materials (SDLQM)

Coordinator	di Napoli, Edoardo
Grant period	2011-05-01 -
Funding body	Forschungszentrum Jülich GmbH
Identifier	G:(DE-Juel1)SDLQM

⇦ SDLQM

Note: The Simulation and Data Laboratory Quantum Materials (SDLQM) provides expertise in the field of quantum-based simulations in Materials Science with a special focus on High-Performance Computing and scientific Machine Learning. SDLQM acts as a high-level support structure in dedicated projects and hosts research projects dealing with fundamental aspects of method development, algorithmic optimization, and performance improvement. The Lab acts as an enabler of large-scale simulations on current HPC platforms as well as training learning models based on in-silico simulations.

Recent Publications

All known publications ...
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Conference Presentation (After Call) Conrads, C. (Corresponding author)FZJ*
A CI/CB Setup for a Quantum Transport Code
2025ISC High Performance 2025, ISC25, HamburgHamburg, Germany, 10 Jun 2025 - 13 Jun 20252025-06-102025-06-13 [10.34734/FZJ-2025-02874] OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Poster (After Call) Di Napoli, E.FZJ* ; Davidovic, D. (Corresponding author) ; Genovese, L.
Learning Materials at eXascale
2024ISC High Performance 2024, ISC24, HamburgHamburg, Germany, 12 May 2024 - 16 May 20242024-05-122024-05-16 [10.34734/FZJ-2025-02426] OpenAccess Files Fulltext BibTeX | EndNote: XML, Text | RIS

Software Wu, X. (Corresponding author)FZJ* ; Winkelmann, J. ; Davidovic, D. ; Di Napoli, E.FZJ* ; Suckert, J. R. ; Achilles, S.FZJ*
ChASE-library/ChASE: Added CI pipeline for automatic building and testing (v1.5.0)
[10.5281/ZENODO.13850610] BibTeX | EndNote: XML, Text | RIS

Journal Article Di Napoli, E. (Corresponding author)FZJ* ; Wu, X.FZJ* ; Bornhake, T. ; Kowalski, P. M.FZJ*
Computing formation enthalpies through an explainable machine learning method: the case of lanthanide orthophosphates solid solutions
Frontiers in applied mathematics and statistics 10, 1355726 (2024) [10.3389/fams.2024.1355726]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Software Wu, X.FZJ* ; Di Napoli, E. (Corresponding author)FZJ*
ChASE-library/ChASE: ChASE (v1.4.0)
[10.5281/ZENODO.8220811] BibTeX | EndNote: XML, Text | RIS

Preprint Di Napoli, E. (Corresponding author)FZJ* ; Wu, X.FZJ* ; Bornhake, T. ; Kowalski, P. M.FZJ*
Computing formation enthalpies through an explainable machine learning method: the case of Lanthanide Orthophosphates solid solutions
arXiv (2023) [10.48550/ARXIV.2303.03748]2023 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Poster (Other) Di Napoli, E. (Corresponding author)FZJ* ; Rohe, D.FZJ*
CASA Simulation and Data Lab Quantum Materials
2023JSC's End-of-Year Colloquium 2023, JülichJülich, Germany, 5 Dec 2023 - 5 Dec 20232023-12-052023-12-05 BibTeX | EndNote: XML, Text | RIS

Talk (non-conference) (Other) Di Napoli, E. (Corresponding author)FZJ* ; Wu, X.FZJ*
The evolution of chase towards JUWELS Booster execution at scale
2023JSC's End-of-Year Colloquium 2023, GermanyGermany, 5 Dec 2023 - 5 Dec 20232023-12-052023-12-05 BibTeX | EndNote: XML, Text | RIS

Conference Presentation (After Call) Di Napoli, E. (Corresponding author)FZJ* ; Wu, X. (Corresponding author)FZJ*
Advancing the Distributed Multi-GPU ChASE Library through Algorithm Optimization and NCCL Library
202314th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Heterogeneous Systems, ScalAH23, DenverDenver, USA, 12 Nov 2023 - 17 Nov 20232023-11-122023-11-17 Fulltext BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Wu, X. (Corresponding author)FZJ* ; Di Napoli, E.FZJ*
Advancing the distributed Multi-GPU ChASE library through algorithm optimization and NCCL library
2023SC-W 2023: Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis, Denver, CODenver, CO, USA, 12 Nov 2023 - 17 Nov 20232023-11-122023-11-17 ACM New York, NY, USA 1688–1696 (2023) [10.1145/3624062.3624249]2023 OpenAccess Files Fulltext BibTeX | EndNote: XML, Text | RIS

All known publications ...
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Record created 2022-09-29, last modified 2022-11-08

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