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JSC-Publikationen 2020

Vollständige Publikationsliste, Artikel in Zeitschriften, Beiträge in Proceedings und Büchern, Bücher, Dissertationen, Master-/Bachelorarbeiten, Reports und Interne Berichte

Vollständige Publikationsliste 2020 des JSC

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article et al
Properties of Neon, Magnesium, and Silicon Primary Cosmic Rays Results from the Alpha Magnetic Spectrometer
Physical review letters 124(21), 211102 () [10.1103/PhysRevLett.124.211102] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A second-order exponential time differencing scheme for non-linear reaction-diffusion systems with dimensional splitting
Journal of computational physics 415, 109490 () [10.1016/j.jcp.2020.109490] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Sub-Grid Scale Modelling at Scale with Deep Learning and up to 60 Billion Degrees of Freedom
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 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, 379 - 388 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Evidence for functional selectivity in TUDC- and norUDCA-induced signal transduction via α5β1 integrin towards choleresis
Scientific reports 10(1), 5795 () [10.1038/s41598-020-62326-y] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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BEAM-ME: Accelerating Linear Energy Systems Models by a Massively Parallel Interior Point Method
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 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, 345 - 352 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Implicit Monotone Difference Methods for Scalar Conservation Laws with Source Terms
Acta mathematica Vietnamica n/a, n/a () [10.1007/s40306-019-00354-1]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Discrete-Event Simulation of an Extended Einstein-Podolsky-Rosen-Bohm Experiment
Frontiers in physics 8, 160 () [10.3389/fphy.2020.00160] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Realising the LOFAR Two-Metre Sky Survey
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 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, 113 - 122 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Simulating Thioflavin T and Congo Red Binding to the Fibril Structure of Amyloid-$ß$(1-42)
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 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, 53 - 61 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Binding Modes of Thioflavin T and Congo Red to the Fibril Structure of Amyloid-β(1–42)
Chemical communications NA, 10.1039.D0CC01161D () [10.1039/D0CC01161D]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Mechanism of fully-reversible, pH-sensitive inhibition of human glutamine synthetase by tyrosine nitration
Journal of chemical theory and computation NA, acs.jctc.0c00249 () [10.1021/acs.jctc.0c00249]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Average spectrum method for analytic continuation: Efficient blocked-mode sampling and dependence on the discretization grid
Physical review / B covering condensed matter and materials physics 101(8), 085111 () [10.1103/PhysRevB.101.085111] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Extending the average spectrum method: Grid point sampling and density averaging
Physical review / B 102(3), 035114 () [10.1103/PhysRevB.102.035114] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Aerosol and cloud top height information of Envisat MIPAS measurements
Atmospheric measurement techniques 13(3), 1243 - 1271 () [10.5194/amt-13-1243-2020] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The inverse scattering problem for a conductive boundary condition and transmission eigenvalues
Applicable analysis 99(3), 508-529 () [10.1080/00036811.2018.1504028] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Analysis and computation of the transmission eigenvalues with a conductive boundary condition
Applicable analysis n/a, n/a () [10.1080/00036811.2020.1789598]  Download fulltext Files  Download fulltextFulltext BibTeX | EndNote: XML, Text | RIS

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A lattice QCD study of nucleon structure with physical quark masses
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich Reihe IAS Series 41, xiii, 157 () = Dissertation, Univ Wuppertal, 2019 OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Secondary Gravity Waves Generated by Breaking Mountain Waves over Europe
Journal of geophysical research / D Atmospheres D 125(5), e2019JD031662 - () [10.1029/2019JD031662] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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An intercomparison of tropospheric ozone reanalysis products from CAMS, CAMS interim, TCR-1, and TCR-2
Geoscientific model development 13(3), 1513 - 1544 () [10.5194/gmd-13-1513-2020] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Elastic transmission eigenvalues and their computation via the method of fundamental solutions
Applicable analysis n/a, n/a () [10.1080/00036811.2020.1721473]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Contribution to a conference proceedings/Contribution to a book
New Numerical Results for the Optimization of Neumann Eigenvalues
Computational and Analytic Methods in Science and Engineering
Computational and Mathematical Methods in Science and Engineering, CMMSE2019, CadizCadiz, Spain, 30 Jun 2019 - 6 Jul 20192019-06-302019-07-06
Basel : Birkhäuser 1-19 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Numerical Calculation of Interior Transmission Eigenvalues with Mixed Boundary Conditions
Computational and Analytic Methods in Science and Engineering
Computational and Mathematical Methods in Science and Engineering, CMMSE2019, CadizCadiz, Spain, 30 Jun 2019 - 6 Jul 20192019-06-302019-07-06
Basel : Birkhäuser 173-193 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Tools for GPU Computing - Debugging and Performance Analysis of Heterogenous HPC Applications
Supercomputing frontiers and innovations 7(1), 91-111 () [10.14529/jsfi200105] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Fluorophore-labeled cyclic nucleotides as potent agonists of cyclic nucleotide-regulated ion channels
ChemBioChem NA, NA () [10.1002/cbic.202000116]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Quantitative assessment of the determinant structural differences between redox-active and inactive glutaredoxins
Nature Communications 11(1), 1725 () [10.1038/s41467-020-15441-3] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Zonal Flow Solver (ZFS): a highly efficient multi-physics simulation framework
International journal of computational fluid dynamics n/a, n/a () [10.1080/10618562.2020.1742328]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Lattice–Boltzmann simulations for complex geometries on high-performance computers
CEAS Aeronautical Journal -, - () [10.1007/s13272-020-00450-1] BibTeX | EndNote: XML, Text | RIS

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Modeling the allosteric modulation on a G-Protein Coupled Receptor: the case of M2 muscarinic Acetylcholine Receptor in complex with LY211960
Scientific reports 10(1), 3037 () [10.1038/s41598-020-59289-5] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Toward a High-Resolution Reconstruction of 3D Nerve Fiber Architectures and Crossings in the Brain Using Light Scattering Measurements and Finite-Difference Time-Domain Simulations
Physical review / X 10(2), 021002 () [10.1103/PhysRevX.10.021002] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Hybrid datasets: Incorporating experimental data into Lattice-Boltzmann simulations
Engineering reports 2(6), e12177 () [10.1002/eng2.12177] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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NIC Symposium 2020
NIC Symposium, JülichJülich, Germany, 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, v, 424 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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TopModel: Template-based protein structure prediction at low sequence identity using top-down consensus and deep neural networks
Journal of chemical theory and computation 16(3), 1953-1967 () [10.1021/acs.jctc.9b00825] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Systematically scrutinizing the impact of substitution sites on thermostability and detergent tolerance for Bacillus subtilis lipase A
Journal of chemical information and modeling 60(3), 1568-1584 () [10.1021/acs.jcim.9b00954] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A structured approach to the construction of stable linear Lattice Boltzmann collision operator
Computers and mathematics with applications 79(5), 1447-1460 () [10.1016/j.camwa.2019.09.009] OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Time-parallel simulation of the Schrödinger Equation
Computer physics communications 255, 107363 - () [10.1016/j.cpc.2020.107363] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Designing a Data Logistics and Model Deployment Service
ALLDATA 2020, The Sixth International Conference on Big Data, Small Data, Linked Data and Open Data, ALLDATA2020, LisbonLisbon, Portugal, 23 Feb 2020 - 27 Feb 20202020-02-232020-02-27 IARIA 22-26 ()  Download fulltext Files  Download fulltextRestricted BibTeX | EndNote: XML, Text | RIS

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Resolving dynamics and function of transient states in single enzyme molecules
Nature Communications 11(1), 1231 () [10.1038/s41467-020-14886-w] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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AMBER-DYES in AMBER: Implementation of fluorophore and linker parameters into AmberTools
The journal of chemical physics 152(22), 221103 - () [10.1063/5.0007630] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Contribution to a conference proceedings
Quantification of fiber orientation uncertainty in polarized light imaging of the human brain
Proc. SPIE 11312, Medical Imaging 2020: Physics of Medical Imaging, Houston, Texas Houston, Texas, United States, 16 Mar 2020 - 16 Mar 20202020-03-162020-03-16 1131239-9 () [10.1117/12.2548935]  Download fulltext Files 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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The Membrane-Integrated Steric Chaperone Lif Facilitates Active Site Opening of Pseudomonas aeruginosa Lipase A
Journal of computational chemistry 4(6), 500-512 () [10.1002/jcc.26085] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Structural and dynamic insights revealing how lipase binding domain MD1 of Pseudomonas aeruginosa foldase affects lipase activation
Scientific reports 10(1), 3578 () [10.1038/s41598-020-60093-4] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Dimerization energetics of the G‐protein coupled bile acid receptor TGR5 from all‐atom simulations
Journal of computational chemistry 41(9), 874-884 () [10.1002/jcc.26135] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Benchmarking Supercomputers with the Jülich Universal Quantum Computer Simulator
NIC Symposium 2020
NIC Symposium 2020, JülichJülich, Germany, 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, 255 - 264 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Benchmarking the quantum approximate optimization algorithm
Quantum information processing 19(7), 197 () [10.1007/s11128-020-02692-8] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Discrete-Event Simulation of Quantum Walks
Frontiers in physics 8, 145 () [10.3389/fphy.2020.00145] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Long-Time Correlations in Single-Neutron Interferometry Data
Journal of the Physical Society of Japan 89(6), 064005 - () [10.7566/JPSJ.89.064005] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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pydca v1.0: a comprehensive software for direct coupling analysis of RNA and protein sequences
Bioinformatics 36(7), 2264 - 2265 () [10.1093/bioinformatics/btz892] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Mikroskopische Fundamentaldiagramme der Fußgängerdynamik – Empirische Untersuchung von Experimenten eindimensionaler Bewegung sowie quantitative Beschreibung von Stau-Charakteristika
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich IAS Series 42, XVIII, 155 () = Dissertation, Univ. Wuppertal, 2019 OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS