001     1049925
005     20260107202518.0
024 7 _ |a 10.5281/ZENODO.17714138
|2 doi
037 _ _ |a FZJ-2025-05679
100 1 _ |a Di Napoli, Edoardo Angelo
|0 P:(DE-Juel1)144723
|b 0
|e Corresponding author
245 _ _ |a SimLabQuantumMaterials/LibNEGF.jl: LibNEGF.jl v0.1.0
250 _ _ |a 0.1.0
260 _ _ |c 2025
336 7 _ |a Software
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336 7 _ |a MISC
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336 7 _ |a Computer Program
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336 7 _ |a OTHER
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336 7 _ |a Software
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520 _ _ |a Version 0.1.0 - November 2025
  • Implementation of sequential RGF for block tridiagonal systems. This can use threading only via BLAS calls.
  • Implementation of a parallel version of RGF, also for block tridiagonal systems, that can use Julia threads. We call this algorithmic alternative DDRGF.
  • Implementation of a recursive solution to the Keldysh problem, for block tridiagonal systems. We call this algorithm RKD throughout the code.
  • The BLAS calls have been encapsulated via a backend, which can use CPUs or Apple GPUs (via the Metal.jl package). This will allow easy portation to Nvidia GPUs via CUDA.jl.
  • Tests are continuously used via the Test package.
  • Timings in the benchmarks are implemented via the TimerOutputs package.

536 _ _ |a 5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511)
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536 _ _ |a Simulation and Data Laboratory Quantum Materials (SDLQM) (SDLQM)
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588 _ _ |a Dataset connected to DataCite
650 _ 7 |a Numerical Linear Algebra
|2 Other
650 _ 7 |a Non Equilibrium Green's Function Method
|2 Other
650 _ 7 |a Recursive Green's Function Method
|2 Other
650 _ 7 |a Dyson
|2 Other
650 _ 7 |a Keldysh
|2 Other
700 1 _ |a Conrads, Christoph
|0 P:(DE-Juel1)204369
|b 1
700 1 _ |a Ramirez Hidalgo, Gustavo
|0 P:(DE-Juel1)206918
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773 _ _ |a 10.5281/ZENODO.17714138
909 C O |o oai:juser.fz-juelich.de:1049925
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913 1 _ |a DE-HGF
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980 _ _ |a sware
980 _ _ |a VDB
980 _ _ |a I:(DE-Juel1)JSC-20090406
980 _ _ |a UNRESTRICTED


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