TY  - COMP
AU  - Di Napoli, Edoardo Angelo
AU  - Conrads, Christoph
AU  - Ramirez Hidalgo, Gustavo
TI  - SimLabQuantumMaterials/LibNEGF.jl: LibNEGF.jl v0.1.0; 0.1.0
M1  - FZJ-2025-05679
PY  - 2025
AB  - Version 0.1.0 - November 2025<ul><li>Implementation of sequential RGF for block tridiagonal systems. This can use threading only via BLAS calls.</li><li>Implementation of a parallel version of RGF, also for block tridiagonal systems, that can use Julia threads. We call this algorithmic alternative DDRGF.</li><li>Implementation of a recursive solution to the Keldysh problem, for block tridiagonal systems. We call this algorithm RKD throughout the code.</li><li>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.</li><li>Tests are continuously used via the Test package.</li><li>Timings in the benchmarks are implemented via the TimerOutputs package.</li></ul>
KW  - Numerical Linear Algebra (Other)
KW  - Non Equilibrium Green's Function Method (Other)
KW  - Recursive Green's Function Method (Other)
KW  - Dyson (Other)
KW  - Keldysh (Other)
LB  - PUB:(DE-HGF)33
DO  - DOI:10.5281/ZENODO.17714138
UR  - https://juser.fz-juelich.de/record/1049925
ER  -