001049925 001__ 1049925 001049925 005__ 20260107202518.0 001049925 0247_ $$2doi$$a10.5281/ZENODO.17714138 001049925 037__ $$aFZJ-2025-05679 001049925 1001_ $$0P:(DE-Juel1)144723$$aDi Napoli, Edoardo Angelo$$b0$$eCorresponding author 001049925 245__ $$aSimLabQuantumMaterials/LibNEGF.jl: LibNEGF.jl v0.1.0 001049925 250__ $$a0.1.0 001049925 260__ $$c2025 001049925 3367_ $$2DCMI$$aSoftware 001049925 3367_ $$0PUB:(DE-HGF)33$$2PUB:(DE-HGF)$$aSoftware$$bsware$$msware$$s1767809600_17300 001049925 3367_ $$2BibTeX$$aMISC 001049925 3367_ $$06$$2EndNote$$aComputer Program 001049925 3367_ $$2ORCID$$aOTHER 001049925 3367_ $$2DataCite$$aSoftware 001049925 520__ $$aVersion 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> 001049925 536__ $$0G:(DE-HGF)POF4-5111$$a5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511)$$cPOF4-511$$fPOF IV$$x0 001049925 536__ $$0G:(DE-Juel1)SDLQM$$aSimulation and Data Laboratory Quantum Materials (SDLQM) (SDLQM)$$cSDLQM$$fSimulation and Data Laboratory Quantum Materials (SDLQM)$$x1 001049925 588__ $$aDataset connected to DataCite 001049925 650_7 $$2Other$$aNumerical Linear Algebra 001049925 650_7 $$2Other$$aNon Equilibrium Green's Function Method 001049925 650_7 $$2Other$$aRecursive Green's Function Method 001049925 650_7 $$2Other$$aDyson 001049925 650_7 $$2Other$$aKeldysh 001049925 7001_ $$0P:(DE-Juel1)204369$$aConrads, Christoph$$b1 001049925 7001_ $$0P:(DE-Juel1)206918$$aRamirez Hidalgo, Gustavo$$b2 001049925 773__ $$a10.5281/ZENODO.17714138 001049925 909CO $$ooai:juser.fz-juelich.de:1049925$$pVDB 001049925 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)144723$$aForschungszentrum Jülich$$b0$$kFZJ 001049925 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)204369$$aForschungszentrum Jülich$$b1$$kFZJ 001049925 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)206918$$aForschungszentrum Jülich$$b2$$kFZJ 001049925 9131_ $$0G:(DE-HGF)POF4-511$$1G:(DE-HGF)POF4-510$$2G:(DE-HGF)POF4-500$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-5111$$aDE-HGF$$bKey Technologies$$lEngineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action$$vEnabling Computational- & Data-Intensive Science and Engineering$$x0 001049925 9201_ $$0I:(DE-Juel1)JSC-20090406$$kJSC$$lJülich Supercomputing Center$$x0 001049925 980__ $$asware 001049925 980__ $$aVDB 001049925 980__ $$aI:(DE-Juel1)JSC-20090406 001049925 980__ $$aUNRESTRICTED