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Part 1: Document Description
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Citation |
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Title: |
Matrix Hub |
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Identification Number: |
doi:10.26165/JUELICH-DATA/BKJOES |
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Distributor: |
Jülich DATA |
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Date of Distribution: |
2026-03-06 |
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Version: |
1 |
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Bibliographic Citation: |
Di Napoli, Edoardo; Wu, Xinzhe, 2026, "Matrix Hub", https://doi.org/10.26165/JUELICH-DATA/BKJOES, Jülich DATA, V1 |
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Citation |
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Title: |
Matrix Hub |
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Subtitle: |
Matrix collections extracted from Materials Science simulation codes |
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Identification Number: |
doi:10.26165/JUELICH-DATA/BKJOES |
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Authoring Entity: |
Di Napoli, Edoardo (Forschungszentrum Jülich) |
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Wu, Xinzhe (Forschungszentrum Jülich) |
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Other identifications and acknowledgements: |
Di Napoli, Edoardo |
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Other identifications and acknowledgements: |
Wu, Xinzhe |
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Other identifications and acknowledgements: |
Richefort, Clement |
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Producer: |
Di Napoli, Edoardo |
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Wu, Xinzhe |
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Richefort, Clement |
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Schleife, Andre |
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Ferretti, Andrea |
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Software used in Production: |
FLEUR |
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Software used in Production: |
UIUC BSE code |
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Software used in Production: |
FHI-aims |
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Software used in Production: |
Yambo |
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Grant Number: |
slai |
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Grant Number: |
HANAMI |
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Distributor: |
Jülich DATA |
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Distributor: |
Wu, Xinzhe |
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Access Authority: |
Di Napoli, Edoardo |
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Access Authority: |
Wu, Xinzhe |
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Depositor: |
Di Napoli, Edoardo |
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Date of Deposit: |
2026-02-04 |
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Date of Distribution: |
2026-02-04 |
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Study Scope |
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Keywords: |
Chemistry, Computer and Information Science, Mathematical Sciences, Physics, Algebraic eigenvalue problem, Hermitian matrix, Psedo-Hermitian matrix |
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Abstract: |
Incremental dataset that includes algebraic matrices generated by a number of applications from Materials Science. The matrices are stored in a publicly accessible server. They can be easily accessed through a web interface 'MatrixHub' hosted on Github. The matrices can also be accessed directly by visiting the public server instead of accessing them through the MatrixHub interface. The purpose of this database of matrices is to provide medium to very large matrices to be utilized to benchmark numerical linear algebra routines. All matrices in the set have been generated with well-known and openly available simulation codes (see Software field). The matrix set includes Hermitian and pseudo-Hermitian square matrices of large sizes (from few thousands to hundreds of thousands). All the matrices represent Hamiltonians of quantum mechanical systems generated by either Density Functional Theory (DFT) methods or Bethe-Salpeter equation (BSE) methods. The matrices generated from BSE can be either Hermitian or pseudo-Hermitian. All matrices from DFT are Hermitian. |
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Kind of Data: |
Other |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Notes: |
CC0 Waiver |
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Other Study Description Materials |
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Label: |
SHA256SUMS.txt |
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Text: |
Checksums for each single matrix in the database |
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Notes: |
text/plain |