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Publications of the SimLab Quantum Materials

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Pseudogap opening in the two-dimensional Hubbard model: A functional renormalization group analysis
Physical review research 2(3), 033068 () [10.1103/PhysRevResearch.2.033068] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Developing Exascale Computing at JSC
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Deutschland, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 50, 1 - 19 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A Modified Ising Model of Barabási-Albert Network with Gene-type Spins
Journal of mathematical biology 81, 769–798 () [10.1007/s00285-020-01518-6] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The LAPW Method with Eigendecomposition Based on the Hari--Zimmermann Generalized Hyperbolic SVD
SIAM journal on scientific computing 42(5), C265–C293 () [10.1137/19M1277813] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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KKRnano: Quantum Description of Skyrmions in Chiral B20 Magnets
High Performance Computing in Science and Engineering ' 18 / Nagel, Wolfgang E. (Editor) ; Cham : Springer International Publishing, 2019, Chapter 31 ; ISBN: 978-3-030-13324-5 ; doi:10.1007/978-3-030-13325-2 Cham : Springer International Publishing 489-503 () [10.1007/978-3-030-13325-2_31] BibTeX | EndNote: XML, Text | RIS

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Analytical PAW Projector Functions for Reduced Bandwidth Requirements
Proceedings of the Platform for Advanced Scientific Computing Conference on - PASC '19 - ACM Press New York, New York, USA, 2019. - ISBN 9781450367707 - doi:10.1145/3324989.3325717
the Platform for Advanced Scientific Computing Conference, PASC19, ZurichZurich, Switzerland, 12 Jun 2019 - 14 Jun 20192019-06-122019-06-14
New York : ACM Press 7:1--7:11 () [10.1145/3324989.3325717] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Complex magnetism of B20-MnGe: from spin-spirals, hedgehogs to monopoles
Journal of physics / Condensed matter Condensed matter 31(48), 485801 () [10.1088/1361-648X/ab38a0] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Non-linear Least-Squares Optimization of Rational Filters for the Solution of Interior Hermitian Eigenvalue Problems
Frontiers in applied mathematics and statistics 5, 5 () [10.3389/fams.2019.00005] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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ChASE: Chebyshev Accelerated Subspace iteration Eigensolver for sequences of Hermitian eigenvalue problems
ACM transactions on mathematical software 45(2), 21 () [10.1145/3313828] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Accelerating the computation of FLAPW methods on heterogeneous architectures
Concurrency and computation 30(24), e4905 - () [10.1002/cpe.4905] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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End of an Era at Jülich Supercomputing Centre as JUQUEEN End-of-Life approaches
Innovatives Supercomputing in Deutschland 16(1), 6-7 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Strategies for Forward Modelling of Infrared Radiative Transfer on GPUs
Parallel Computing is Everywhere
Parallel Computing, ParCo2017, BolognaBologna, Italy, 12 Sep 2017 - 15 Sep 20172017-09-122017-09-15
Amsterdam : IOS Press, Advances in Parallel Computing 32, 369 - 380 () [10.3233/978-1-61499-843-3-369] BibTeX | EndNote: XML, Text | RIS

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Trajectory errors of different numerical integration schemes diagnosed with the MPTRAC advection module driven by ECMWF operational analyses
Geoscientific model development 11(2), 575 - 592 () [10.5194/gmd-11-575-2018] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Perfect Detection of Spikes in the Linear Sub-threshold Dynamics of Point Neurons
Frontiers in neuroinformatics 11, 75 () [10.3389/fninf.2017.00075] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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KKRnano: Density Functional Theory application for a million atoms
JUQUEEN Extreme Scaling Workshop 2017
D. Brömmel, W. Frings, B. J. N. Wylie (Eds.), Meeting location,
: 17-22 () BibTeX | EndNote: XML, Text | RIS

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Exascale Scientific Applications: Programming Approaches for Scalability, Performance, and Portability: KKRnano
Exascale scientific applications : scalability and performance portability / Straatsma, Tjerk P., ; Williams, Timothy J. ; Antypas, Katerina Boca Raton, Florida, USA : Chapman and Hall/CRC, Chapman & Hall/CRC computational science 1, 431-448 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The Jülich Supercomputing Centre Launches the New SimLab Quantum Materials
Innovatives Supercomputing in Deutschland 15(1), 17-19 () OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Exploiting In-Memory Processing Capabilities for Density Functional Theory Applications
Euro-Par 2016: Parallel Processing Workshops / Desprez, Frederic (Editor) ; Cham : Springer International Publishing, 2017, Chapter 60 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-319-58942-8=978-3-319-58943-5 ; doi:10.1007/978-3-319-58943-5
Euro-Par 2016 International Workshops, GrenobleGrenoble, France, 24 Aug 2016 - 26 Aug 20162016-08-242016-08-26
Cham : Springer International Publishing, Lecture Notes in Computer Science 10104, 750 - 762 () [10.1007/978-3-319-58943-5_60] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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High-Performance Scientific Computing - First JARA-HPC Symposium 2016
1st JARA-HPC Symposium, JHPCS'16, AachenAachen, Germany, 4 Oct 2016 - 5 Oct 20162016-10-042016-10-05 Cham : Springer International Publishing, Lecture Notes in Computer Science 10164, () BibTeX | EndNote: XML, Text | RIS

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High-performance generation of the Hamiltonian and Overlap matrices in FLAPW methods
Computer physics communications 211, 61-72 () [10.1016/j.cpc.2016.10.003]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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High-performance functional Renormalization Group calculations for interacting fermions
Computer physics communications 213, 100-110 () [10.1016/j.cpc.2016.12.013] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Addressing Materials Science Challenges Using GPU-accelerated POWER8 Nodes
22nd International Conference on Parallel and Distributed Computing, p. 77-89, GrenobleGrenoble, France, 24 Aug 2016 - 26 Aug 20162016-08-242016-08-26 Germany : Springer-Verlag GmbH, Euro-Par 2016: Parallel Processing; Dutot, Pierre-François; Trystram, Denis (Eds.) () BibTeX | EndNote: XML, Text | RIS

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Exploring Energy Efficiency for GPU-Accelerated POWER Servers
High Performance Computing / Taufer, Michela (Editor),Chapter 15 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-319-46078-9=978-3-319-46079-6
International Workshop on OpenPOWER for HPC, IWOPH'16, FrankfurtFrankfurt, Germany, 23 Jun 2016 - 23 Jun 20162016-06-232016-06-23
Cham : Springer International Publishing, Lecture Notes in Computer Science 9945, 207 - 227 () [10.1007/978-3-319-46079-6_15]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Hybrid CPU-GPU generation of the Hamiltonian and Overlap matrices in FLAPW methods
JARA High-Performance Computing Symposium, JHPCS, AachenAachen, Germany, 4 Oct 2016 - 5 Oct 20162016-10-042016-10-05 Springer-Verlag, Lecture Notes in Computer Science 10164, 200-211 () [10.1007/978-3-319-53862-4_17] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Parallel adaptive integration in high-performance functional Renormalization Group computations
JARA High-Performance Computing Symposium, JHPCS, AachenAachen, Germany, 4 Oct 2016 - 5 Oct 20162016-10-042016-10-05 Springer-Verlag, Lecture Notes in Computer Science 10164, 170-184 () [10.1007/978-3-319-53862-4_15] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Addressing Materials Science Challenges Using GPU-accelerated POWER8 Nodes
Euro-Par 2016: Parallel Processing / Dutot, Pierre-François (Editor) ; Cham : Springer International Publishing, 2016, Chapter 6 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-319-43658-6=978-3-319-43659-3
Euro-Par 2016, GrenobleGrenoble, France, 24 Aug 2016 - 26 Aug 20162016-08-242016-08-26
Cham : Springer International Publishing, Lecture Notes in Computer Science 9833, 77 - 89 () [10.1007/978-3-319-43659-3_6]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Methodology for determining the electronic thermal conductivity of metals via direct nonequilibrium ab initio molecular dynamics
Physical review / B 94(7), 075149 () [10.1103/PhysRevB.94.075149] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Efficient estimation of eigenvalue counts in an interval
Numerical linear algebra with applications 23(4), 674-692 () [10.1002/nla.2048] BibTeX | EndNote: XML, Text | RIS

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Hierarchical parallelisation of functional renormalisation group calculations — hp-fRG
Computer physics communications 207, 160-169 () [10.1016/j.cpc.2016.05.024]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Flexible and Generic Workflow Management
Parallel Computing: On the Road to Exascale
International Conference on Parallel Computing 2015, ParCo 2015, EdinburghEdinburgh, United Kingdom, 1 Sep 2015 - 4 Sep 20152015-09-012015-09-04
Amsterdam : IOS Press, Advances in parallel computing 27, () [10.3233/978-1-61499-621-7-431]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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A Performance Model for GPU-Accelerated FDTD Applications
2015 IEEE 22nd International Conference on High Performance Computing (HiPC) : [Proceedings] - IEEE, 2015. - ISBN 978-1-4673-8488-9
2015 IEEE 22nd International Conference on High Performance Computing (HiPC), BengaluruBengaluru, India, 16 Dec 2015 - 19 Dec 20152015-12-162015-12-19
IEEE 185 - 193 () [10.1109/HiPC.2015.24]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Accelerating LBM and LQCD Application Kernels by In-Memory Processing
High Performance Computing / ; Cham : Springer International Publishing, 2015, Chapter 8 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-319-20118-4=978-3-319-20119-1 ; doi:10.1007/978-3-319-20119-1
ISC High Performance 2015, ISC2015, FrankfurtFrankfurt, Germany, 12 Jul 2015 - 16 Jul 20152015-07-122015-07-16
Cham : Springer International Publishing, Lecture Notes in Computer Science 9137, 96 - 112 () [10.1007/978-3-319-20119-1_8] BibTeX | EndNote: XML, Text | RIS

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Performance Evaluation of Scientific Applications on POWER8
High Performance Computing Systems. Performance Modeling, Benchmarking, and Simulation / ; Cham : Springer International Publishing, 2015, Chapter 2 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-319-17247-7=978-3-319-17248-4 ; doi:10.1007/978-3-319-17248-4
5th International Workshop on Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (held as part of SC14), PMBS 2014, New Orleans, LANew Orleans, LA, USA, 16 Nov 2014 - 16 Nov 20142014-11-162014-11-16
Cham : Springer International Publishing, Lecture Notes in Computer Science 8966, 24 - 45 () [10.1007/978-3-319-17248-4_2] BibTeX | EndNote: XML, Text | RIS

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An optimized and scalable eigensolver for sequences of eigenvalue problems
Concurrency and computation 27(4), 905–922 () [10.1002/cpe.3394]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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A Parallel and Scalable Iterative Solver for Sequences of Dense Eigenproblems Arising in FLAPW
Parallel Processing and Applied Mathematics
The 10th International Conference on Parallel Processing and Applied Mathematics, PPAM 2013, WarsawWarsaw, Poland, 8 Sep 2013 - 11 Sep 20132013-09-082013-09-11
Berlin, Heidelberg : Springer Berlin Heidelberg, Lecture Notes in Computer Science 8385, 395 - 406 () [10.1007/978-3-642-55195-6_37]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Opening Workshop of the Simulation Laboratory "Ab Initio"
Innovatives Supercomputing in Deutschland 12(1), 100-101 () OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Numerical methods for the eigenvalue problem in electronic structure computations
45th IFF Spring School 2014 "Computing Solids – Models, ab-initio methods and supercomputing", ed. S. Blügel, N. Helbig, V. Meden, D. Wortmann Juelich : Forschungszentrum Juelich GmbH, Schriften des Forschungszentrums Jülich Reihe Schlüsseltechnologien / Key Technologies 74, D3.1 - D3.28 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Towards an efficient use of the BLAS library for multilinear tensor contractions
Applied mathematics and computation 235, 454 - 468 () [10.1016/j.amc.2014.02.051]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Characterizing Performance of Applications on Blue Gene/Q
Parallel Computing: Accelerating Computational Science and Engineering (CSE)
International Conference on Parallel Computing, ParCo 2013, MunichMunich, Germany, 10 Sep 2013 - 13 Sep 20132013-09-102013-09-13
IOS Press, Advances in Parallel Computing 25, 113-122 () [10.3233/978-1-61499-381-0-113] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Block iterative eigensolvers for sequences of correlated eigenvalue problems
Computer physics communications 184(11), 2478 - 2488 () [10.1016/j.cpc.2013.06.017] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Dissecting the FEAST algorithm for generalized eigenproblems
Journal of computational and applied mathematics 244, 1 - 9 () [10.1016/j.cam.2012.11.014]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS