Publications 2021

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The Alpha Magnetic Spectrometer (AMS) on the international space station: Part II — Results from the first seven years
Physics reports 894, 1-116 () [10.1016/j.physrep.2020.09.003] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Properties of Iron Primary Cosmic Rays: Results from the Alpha Magnetic Spectrometer
Physical review letters 126(4), 041104 () [10.1103/PhysRevLett.126.041104] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Properties of Heavy Secondary Fluorine Cosmic Rays: Results from the Alpha Magnetic Spectrometer
Physical review letters 126(8), 081102 () [10.1103/PhysRevLett.126.081102] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Properties of a New Group of Cosmic Nuclei: Results from the Alpha Magnetic Spectrometer on Sodium, Aluminum, and Nitrogen
Physical review letters 127(2), 021101 () [10.1103/PhysRevLett.127.021101] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Periodicities in the Daily Proton Fluxes from 2011 to 2019 Measured by the Alpha Magnetic Spectrometer on the International Space Station from 1 to 100 GV
Physical review letters 127(27), 271102 () [10.1103/PhysRevLett.127.271102] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Erratum: Properties of a New Group of Cosmic Nuclei: Results from the Alpha Magnetic Spectrometer on Sodium, Aluminum, and Nitrogen [Phys. Rev. Lett. 127 , 021101 (2021)]
Physical review letters 127(15), 159901 () [10.1103/PhysRevLett.127.159901] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Substrate Access Mechanism in a Novel Membrane-Bound Phospholipase A of Pseudomonas aeruginosa Concordant with Specificity and Regioselectivity
Journal of chemical information and modeling 61(11), 5626–5643 () [10.1021/acs.jcim.1c00973] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Fenix: Distributed e-Infrastructure Services for EBRAINS
Brain-Inspired Computing / Amunts, Katrin (Editor) [https://orcid.org/0000-0001-5828-0867] ; Cham : Springer International Publishing, 2021, Chapter 6 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-030-82426-6=978-3-030-82427-3 ; doi:10.1007/978-3-030-82427-3
BrainComp 2019 - Workshop on Brain-Inspired Computing, BrainComp 2019, CetraroCetraro, Italy, 15 Jul 2019 - 19 Jul 20192019-07-152019-07-19
Cham : Springer International Publishing, Lecture Notes in Computer Science 12339, 81 - 89 () [10.1007/978-3-030-82427-3_6] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Effects of the Nasal Cavity Complexity on the Pharyngeal Airway Fluid Mechanics: A Computational Study
Journal of digital imaging 34, 1120–1133 () [10.1007/s10278-021-00501-x] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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JUWELS Cluster and Booster: Exascale Pathfinder with Modular Supercomputing Architecture at Juelich Supercomputing Centre
Journal of large-scale research facilities 7, A183 () [10.17815/jlsrf-7-183] OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Space weather with DLMOS, xPic and GMM
Porting applications to a Modular Supercomputer - Experiences from the DEEP-EST project Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag Jülich, Schriften des Forschungszentrums Jülich IAS Series 48, 109-144 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Brain-Inspired Computing; 4th International Workshop, BrainComp 2019 Cetraro, Italy, July 15–19, 2019 Revised Selected Papers
4th International Workshop on Brain-Inspired Computing, CetraroCetraro, Italy, 15 Jul 2019 - 19 Jul 20192019-07-152019-07-19 Cham : Springer International Publishing, Lecture Notes in Computer Science 12339, - () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Mont-Blanc 2020: Towards Scalable and Power Efficient European HPC Processors
2021 Design, Automation & Test in Europe Conference & Exhibition (DATE) : [Proceedings] - IEEE, 2021. - ISBN 978-3-9819263-5-4 - doi:10.23919/DATE51398.2021.9474093
2021 Design, Automation & Test in Europe Conference & Exhibition (DATE), GrenobleGrenoble, France, 1 Feb 2021 - 5 Feb 20212021-02-012021-02-05
136-141 () [10.23919/DATE51398.2021.9474093]   Download fulltextFulltext BibTeX | EndNote: XML, Text | RIS

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Lattice Study of QCD Properties under Extreme Conditions: Temperature, Density, Rotation, and Magnetic Field
Physics of particles and nuclei 52(4), 536 - 541 () [10.1134/S1063779621040079] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Lattice study of QCD at finite chiral density: topology and confinement
The European physical journal / A 57(1), 15 () [10.1140/epja/s10050-020-00326-2] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Atmospheric Gravity Waves in Aeolus Wind Lidar Observations
Geophysical research letters 48(10), e2021GL092756 () [10.1029/2021GL092756] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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An HPC-Driven Data Science Platform to Speed-up Time Series Data Analysis of Patients with the Acute Respiratory Distress Syndrome
2021 44th International Convention on Information, Communication and Electronic Technology (MIPRO), OpatijaOpatija, Croatia, 27 Sep 2021 - 1 Oct 20212021-09-272021-10-01 340 - 345 () [10.23919/MIPRO52101.2021.9596840] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Design and Evaluation of an HPC-based Expert System to speed-up Retail Data Analysis using Residual Networks Combined with Parallel Association Rule Mining and Scalable Recommenders
2021 44th International Convention on Information, Communication and Electronic Technology (MIPRO), OpatijaOpatija, Croatia, 27 Sep 2021 - 1 Oct 20212021-09-272021-10-01 274 - 279 () [10.23919/MIPRO52101.2021.9596796] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Targeting spectrin redox switches to regulate the mechanoproperties of red blood cells
Biological chemistry 402(3), 317–331 () [10.1515/hsz-2020-0293] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Germany’s next shutdown—Possible scenarios and outcomes
Influenza and other respiratory viruses 15(3), 326-330 () [10.1111/irv.12827] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Compliance with NPIs and possible deleterious effects on mitigation of an epidemic outbreak
Infectious disease modelling 6, 859 - 874 () [10.1016/j.idm.2021.06.001] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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F/G Region Rigidity is Inversely Correlated to Substrate Promiscuity of Human CYP Isoforms Involved in Metabolism
Journal of chemical information and modeling 61(8), 4023–4030 () [10.1021/acs.jcim.1c00558] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Corrections to the hadron resonance gas from lattice QCD and their effect on fluctuation-ratios at finite density
Physical review / D 104(9), 094508 () [10.1103/PhysRevD.104.094508] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Role and Perspective of Molecular Simulation-Based Investigation of RNA–Ligand Interaction: From Small Molecules and Peptides to Photoswitchable RNA Binding
Molecules 26(11), 3384 - () [10.3390/molecules26113384] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Context aware benchmarking and tuning of a TByte-scale air quality database and web service
Earth science informatics 14, 1597-1607 () [10.1007/s12145-021-00631-4] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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AQ-Bench: a benchmark dataset for machine learning on global air quality metrics
Earth system science data 13(6), 3013 - 3033 () [10.5194/essd-13-3013-2021] special issue: "Benchmark datasets and machine learning algorithms for Earth system science data (ESSD/GMD inter-journal SI)" OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Firewood residential heating – local versus remote influence on the aerosol burden
Atmospheric chemistry and physics 21(8), 5953 - 5964 () [10.5194/acp-21-5953-2021] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Using physics-informed enhanced super-resolution generative adversarial networks for subfilter modeling in turbulent reactive flows
Proceedings of the Combustion Institute 38(2), 2617 - 2625 () [10.1016/j.proci.2020.06.022] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Expanding the boundaries of ligand–target modeling by exascale calculations
Wiley interdisciplinary reviews / Computational Molecular Science 11(4), e1535 () [10.1002/wcms.1535] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Liver cell hydration and integrin signaling
Biological chemistry 402(9), 1033-1045 () [10.1515/hsz-2021-0193] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Lattice QCD Equation of State at Finite Chemical Potential from an Alternative Expansion Scheme
Physical review letters 126(23), 232001 () [10.1103/PhysRevLett.126.232001] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Leading hadronic contribution to the muon magnetic moment from lattice QCD
Nature <London> 593(7857), 51–55 () [10.1038/s41586-021-03418-1] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Topological susceptibility of pure gauge theory using density of states
Physics letters / B 815, 136148 - () [10.1016/j.physletb.2021.136148] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A pre-registered short-term forecasting study of COVID-19 in Germany and Poland during the second wave
Nature Communications 12(1), 5173 () [10.1038/s41467-021-25207-0] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Influence of relativistic rotation on the confinement-deconfinement transition in gluodynamics
Physical review / D 103(9), 094515 () [10.1103/PhysRevD.103.094515] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Divertor power load predictions based on machine learning
Nuclear fusion 61(4), 046023 - () [10.1088/1741-4326/abdb94]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Interactions of Microtopography, Slope and Infiltration Cause Complex Rainfall‐Runoff Behavior at the Hillslope Scale for Single Rainfall Events
Water resources research 57(7), e2020WR028127 () [10.1029/2020WR028127] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Trend detection of atmospheric time series
Elementa 9(1), 00035 () [10.1525/elementa.2021.00035] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Integration of Parallel I/O Library and Flash Native Accelerators: An Evaluation of SIONlib with IME
Proceedings of the Workshop on Challenges and Opportunities of Efficient and Performant Storage Systems
EuroSys '21: Sixteenth European Conference on Computer Systems, Online EventOnline Event, UK, 26 Apr 2021 - 28 Apr 20212021-04-262021-04-28
ACM New York, NY, USA, CHEOPS '21 8 pp. () [10.1145/3439839.3458736] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The outflow of Asian biomass burning carbonaceous aerosol into the upper troposphere and lower stratosphere in spring: radiative effects seen in a global model
Atmospheric chemistry and physics 21(18), 14371 - 14384 () [10.5194/acp-21-14371-2021] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Effect of Pre-Training Scale on Intra- and Inter-Domain Full and Few-Shot Transfer Learning for Natural and Medical X-Ray Chest Images
Medical Imaging Meets NeurIPS (MedNeurIPS), Sydney / onlineSydney / online, Australia, 6 Dec 2021 - 14 Dec 20212021-12-062021-12-14 1-6 () OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Three-dimensional first principles simulation of a hydrogen discharge
Plasma physics and controlled fusion 63(4), 045012 - () [10.1088/1361-6587/abdd75] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Theory of circularly polarized harmonic generation using bi-colour lasers in underdense plasmas
Plasma physics and controlled fusion 63(3), 035023 - () [10.1088/1361-6587/abd9e1] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Optical control of laser-driven X-ray and XUV radiation sources
RWTH Aachen xii, 111 p. () [10.18154/RWTH-2021-10211] = Dissertation, RWTH Aachen, 2021 OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The Trimeric Major Capsid Protein of Mavirus is stabilized by its Interlocked N-termini Enabling Core Flexibility for Capsid Assembly
Journal of molecular biology 433(7), 166859 - () [10.1016/j.jmb.2021.166859] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Can Constraint Network Analysis guide the identification phase of KnowVolution? A case study on improved thermostability of an endo-β-glucanase
Computational and structural biotechnology journal 19, 743-751 () [10.1016/j.csbj.2020.12.034] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Evolutionary Optimization of Neural Architectures in Remote Sensing Classification Problems
2021 IEEE International Geoscience and Remote Sensing Symposium IGARSS : [Proceedings] - IEEE, 2021. - ISBN 978-1-6654-0369-6 - doi:10.1109/IGARSS47720.2021.9554309
IEEE International Geoscience and Remote Sensing Symposium, IGARSS 2021, BrusselsBrussels, Belgium, 12 Jul 2021 - 16 Jul 20212021-07-122021-07-16
IEEE 1587 - 1590 () [10.1109/IGARSS47720.2021.9554309] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L
International journal of molecular sciences 22(21), 11779 - () [10.3390/ijms222111779] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Assembly of Multi‐Spheroid Cellular Architectures by Programmable Droplet Merging
Advanced materials 33(4), 2006434 - () [10.1002/adma.202006434] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Orbital magnetoelectric effect in zigzag nanoribbons of p-band systems
Physical review / B 104(16), 165403 () [10.1103/PhysRevB.104.165403] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction
Molecules 26(6), 1613 - () [10.3390/molecules26061613] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Discovery of new acetylcholinesterase inhibitors for Alzheimer’s disease: virtual screening and in vitro characterisation
Journal of enzyme inhibition and medicinal chemistry 36(1), 491 - 496 () [10.1080/14756366.2021.1876685] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Mapping Yearly Fine Resolution Global Surface Ozone through the Bayesian Maximum Entropy Data Fusion of Observations and Model Output for 1990–2017
Environmental science & technology 55(8), 4389 - 4398 () [10.1021/acs.est.0c07742] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Quantum Support Vector Machine Algorithms for Remote Sensing Data Classification
2021 IEEE International Geoscience and Remote Sensing Symposium IGARSS : [Proceedings] - IEEE, 2021. - ISBN 978-1-6654-0369-6 - doi:10.1109/IGARSS47720.2021.9554802
IEEE International Geoscience and Remote Sensing Symposium (IGARSS), BrusselsBrussels, Belgium, 12 Jul 2021 - 16 Jul 20212021-07-122021-07-16
IEEE 2608-2611 () [10.1109/IGARSS47720.2021.9554802] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Post-acceleration of electron bunches from laser-irradiated nanoclusters
Physica scripta 96, 055603 () [10.1088/1402-4896/abe77f] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Structural plasticity as a connectivity generation and optimization algorithm in neural networks
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich IAS Series 47, 167 pp. () = Dissertation, RWTH Aachen University, 2021 OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Generative Adversarial Deep Learning with Solar Images
AGU Fall Meeting, AGU, New OrleansNew Orleans, USA, 13 Dec 2021 - 17 Dec 20212021-12-132021-12-17 1 pp. () BibTeX | EndNote: XML, Text | RIS

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Aqueous ionic liquids redistribute local enzyme stability via long-range perturbation pathways
Computational and structural biotechnology journal 19, 4248-4264 () [10.1016/j.csbj.2021.07.001] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Earth Science with NextDBSCAN, NextSVM and Deep Learning
Porting applications to a Modular Supercomputer - Experiences from the DEEP-EST project Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag Jülich, Schriften des Forschungszentrums Jülich IAS Series 48, 145-166 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Convolutional neural networks for high throughput screening of catalyst layer inks for polymer electrolyte fuel cells
RSC Advances 11(51), 32126 - 32134 () [10.1039/D1RA05324H] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The role of tropical volcanic eruptions in exacerbating Indian droughts
Scientific reports 11(1), 2714 () [10.1038/s41598-021-81566-0] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Detecting Disaster Before It Strikes: On the Challenges of Automated Building and Testing in HPC Environments
Tools for High Performance Computing 2018 / 2019 / Mix, Hartmut (Editor) ; Cham : Springer International Publishing, 2021, Chapter 1 ; ISBN: 978-3-030-66056-7 ; doi:10.1007/978-3-030-66057-4
12th International Parallel Tools Workshop, StuttgartStuttgart, Germany, 17 Sep 2018 - 18 Sep 20182018-09-172018-09-18
Cham : Springer International Publishing 3-26 () [10.1007/978-3-030-66057-4_1] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Algorithmic distinction of ARDS and Heart Failure in ICU data from medical embedded systems by using a computer model
4th IFAC Conference on Embedded Systems, Computational Intelligence and Telematics in Control, CESCIT 2021, ValenciennesValenciennes, France, 5 Jul 2021 - 7 Jul 20212021-07-052021-07-07 IFAC-PapersOnLine 54(4), 135 - 140 () [10.1016/j.ifacol.2021.10.023] special issue: "4th IFAC Conference on Embedded Systems, Computational Intelligence and Telematics in Control CESCIT 2021: Valenciennes, France, 5-7 July 2021" OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Glutamine synthetase as a central element in hepatic glutamine and ammonia metabolism: novel aspects
Biological chemistry 402(9), 1063-1072 () [10.1515/hsz-2021-0166] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Parallel hybrid Monte Carlo / Molecular Statics for Simulation of Solute Segregation in Solids
Journal of physics / Conference series 1740, 012001 - () [10.1088/1742-6596/1740/1/012001] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The many facets of bile acids in the physiology and pathophysiology of the human liver
Biological chemistry 402(9), 1047-1062 () [10.1515/hsz-2021-0156] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Garden optimization problems for benchmarking quantum annealers
Quantum information processing 20(9), 305 () [10.1007/s11128-021-03226-6] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Twelve Ways to Fool the Masses When Giving Parallel-in-Time Results
Parallel-in-Time Integration Methods
9th Workshop on Parallel-in-Time Integration, PinT9, onlineonline, online, 8 Jun 2020 - 12 Jun 20202020-06-082020-06-12
Cham : Springer International Publishing, Springer Proceedings in Mathematics & Statistics 356, 81 - 94 () [10.1007/978-3-030-75933-9_4] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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JUST: Large-Scale Multi-Tier Storage Infrastructure at the Jülich Supercomputing Centre
Journal of large-scale research facilities 7, A180 () [10.17815/jlsrf-7-180] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A Web-Based Service Portal to Steer Numerical Simulations on High-Performance Computers
8th European Medical and Biological Engineering Conference, EMBEC 2020, PortorozPortoroz, Slovenia, 29 Nov 2020 - 3 Dec 20202020-11-292020-12-03 Springer, Cham 80, 57-65 () [10.1007/978-3-030-64610-3_8] OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The crossover line in the (T, μ)-phase diagram of QCD
Nuclear physics <Amsterdam> / A 1005, 121782 - () [10.1016/j.nuclphysa.2020.121782]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Quantum Nondemolition Dispersive Readout of a Superconducting Artificial Atom Using Large Photon Numbers
Physical review applied 15(6), 064030 () [10.1103/PhysRevApplied.15.064030] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A Middleware Supporting Data Movement in Complex and Software-Defined Storage and Memory Architectures
High Performance Computing / Jagode, Heike (Editor)
ISC High Performance 2021, FrankfurtFrankfurt, Germany, 22 Jun 2021 - 25 Jun 20212021-06-222021-06-25
Heidelberg : Springer, Lecture Notes in Computer Science 12761, 346 - 357 () [10.1007/978-3-030-90539-2_23] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5
Nature Communications 12(1), 5254 () [10.1038/s41467-021-25574-8] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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On the influence of prior information evaluated by fully Bayesian criteria in a personalized whole-brain model of epilepsy spread
PLoS Computational Biology 17(7), e1009129 - () [10.1371/journal.pcbi.1009129] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A Practical Approach for Estimating the Optimum Tilt Angle of a Photovoltaic Panel for a Long Period—Experimental Recorded Data
Missing Journal / Fehlende Zeitschrift 1(1), 41 - 51 () [10.3390/solar1010005]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Electronic instabilities in Penrose quasicrystals: Competition, coexistence, and collaboration of order
Physical review research 3(2), 023180 () [10.1103/PhysRevResearch.3.023180] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Stratospheric gravity waves over the mountainous island of South Georgia: testing a high-resolution dynamical model with 3-D satellite observations and radiosondes
Atmospheric chemistry and physics 21(10), 7695 - 7722 () [10.5194/acp-21-7695-2021] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Foamy Viruses, Bet, and APOBEC3 Restriction
Viruses 13(3), 504 () [10.3390/v13030504] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Reactive Metabolites from Thiazole-Containing Drugs: Quantum Chemical Insights into Biotransformation and Toxicity
Chemical research in toxicology 34(6), 1503–1517 () [10.1021/acs.chemrestox.0c00450] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Random State Technology
Journal of the Physical Society of Japan 90(1), 012001 - () [10.7566/JPSJ.90.012001] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A new method to detect and classify polar stratospheric nitric acid trihydrate clouds derived from radiative transfer simulations and its first application to airborne infrared limb emission observations
Atmospheric measurement techniques 14(3), 1893 - 1915 () [10.5194/amt-14-1893-2021] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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JUWELS Booster – A Supercomputer for Large-Scale AI Research
High Performance Computing / Jagode, Heike (Editor)
ISC High Performance 2021, ISC21, DigitalDigital, Germany, 24 Jun 2021 - 2 Jul 20212021-06-242021-07-02
Lecture Notes in Computer Science 12761, 453 - 468 () [10.1007/978-3-030-90539-2_31] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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High Energy Physics with CMSSW
Porting applications to a Modular Supercomputer - Experiences from the DEEP-EST project Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag Jülich, Schriften des Forschungszentrums Jülich IAS Series 48, 167-185 () 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 100(16), 3445-3462 () [10.1080/00036811.2020.1721473] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The hot spots conjecture can be false: Some numerical examples
Advances in computational mathematics 47(6), 85 () [10.1007/s10444-021-09911-5] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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IntelliO3-ts v1.0: a neural network approach to predict near-surface ozone concentrations in Germany
Geoscientific model development 14(1), 1 - 25 () [10.5194/gmd-14-1-2021] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A Picture Is Worth a Thousand Numbers—Enhancing Cube’s Analysis Capabilities with Plugins
Tools for High Performance Computing 2018 / 2019 / Mix, Hartmut (Editor) ; Cham : Springer International Publishing, 2021, Chapter 13 ; ISBN: 978-3-030-66056-7 ; doi:10.1007/978-3-030-66057-4
Tools for High Performance Computing 2019, DresdenDresden, Fed Rep Germany, 2 Sep 2019 - 3 Sep 20192019-09-022019-09-03
Cham : Springer International Publishing 237 - 259 () [10.1007/978-3-030-66057-4_13] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Second Quantization and Jordan-Wigner Representations
Simulating Correlations with Computers
Autumn School on Correlated Electrons, correl21, JülichJülich, Germany, 20 Sep 2021 - 24 Sep 20212021-09-202021-09-24
Jülich : Forschungszentrum Jülich, Modeling and Simulation 11, 1.1-1.29 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Numerical Analysis of Oscillatory Flows in the Human Brain by a Lattice-Boltzmann Method
14th WCCM-ECCOMAS Congress : [Proceedings] - CIMNE, 2021. - ISBN - doi:10.23967/wccm-eccomas.2020.226
14th WCCM-ECCOMAS Congress, digitaldigital, digital, 11 Jan 2021 - 15 Jan 20212021-01-112021-01-15
1-12 () [10.23967/wccm-eccomas.2020.226] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A CUDA fast multipole method with highly efficient M2L far field evaluation
The international journal of high performance computing applications 35(1), 97 - 117 () [10.1177/1094342020964857] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Rational Spectral Filters with Optimal Convergence Rate
SIAM journal on scientific computing 43(4), A2660–A2684 () [10.1137/20M1313933] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Evaluation of 3‐ and 4‐Phenoxybenzamides as Selective Inhibitors of the Mono‐ADP‐Ribosyltransferase PARP10
ChemistryOpen 10(10), 939 - 948 () [10.1002/open.202100087] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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More on the flavor dependence of mϱ/fπ
Journal of high energy physics 2021(7), 202 () [10.1007/JHEP07(2021)202] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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QCD transition at the physical point, and its scaling window from twisted mass Wilson fermions
Physics letters / B 823, 136749 - () [10.1016/j.physletb.2021.136749] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A modeler's guide to handle complexity in energy systems optimization
Advances in applied energy 4, 100063 - () [10.1016/j.adapen.2021.100063] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Convergence of multilevel spectral deferred corrections
Communications in applied mathematics and computational science 16(2), 227 - 265 () [10.2140/camcos.2021.16.227] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Porting applications to a Modular Supercomputer - Experiences from the DEEP-EST project
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich IAS Series 48, 254 pp. () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Best Practices Guide
Porting applications to a Modular Supercomputer - Experiences from the DEEP-EST project Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag Jülich, Schriften des Forschungszentrums Jülich IAS Series 48, 187-232 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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On strong-scaling and open-source tools for analyzing atom probe tomography data
npj computational materials 7(1), 21 () [10.1038/s41524-020-00486-1] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Chase-Escape percolation on the 2D square lattice
Physica / A 577, 126072 - () [10.1016/j.physa.2021.126072] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen
ACS pharmacology & translational science 4(3), 1096 - 1110 () [10.1021/acsptsci.0c00216] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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MLAir (v1.0) – a tool to enable fast and flexible machine learning on air data time series
Geoscientific model development 14(3), 1553 - 1574 () [10.5194/gmd-14-1553-2021] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Polarized proton acceleration in ultraintense laser interaction with near-critical-density plasmas
Physical review / E 104(1), 015216 () [10.1103/PhysRevE.104.015216] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Lessons learned from urgent computing in Europe: Tackling the COVID-19 pandemic
Proceedings of the National Academy of Sciences of the United States of America 118(46), e2024891118 - () [10.1073/pnas.2024891118] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Simulations of laser plasma instabilities using a particle-mesh method
Plasma physics and controlled fusion 63(9), 095005 - () [10.1088/1361-6587/ac11b8] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Mitigating parametric instabilities in plasmas by sunlight-like lasers
Matter and radiation at extremes 6(5), 055902 - () [10.1063/5.0054653] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Future Medical Artificial Intelligence Application Requirements and Expectations of Physicians in German University Hospitals: Web-Based Survey
Journal of medical internet research 23(3), e26646 - () [10.2196/26646] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease
Molecules 26(4), 797 - () [10.3390/molecules26040797] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Long-Term Desynchronization by Coordinated Reset Stimulation in a Neural Network Model With Synaptic and Structural Plasticity
Frontiers in physiology 12, 716556 () [10.3389/fphys.2021.716556] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Algorithmic surveillance of I CU patients with acute respiratory distress syndrome (ASIC): protocol for a multicentre stepped-wedge cluster randomised quality improvement strategy
BMJ open 11(4), e045589 - () [10.1136/bmjopen-2020-045589] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Towards blood flow in the virtual human: efficient self-coupling of HemeLB
Interface focus 11(1), 20190119 - () [10.1098/rsfs.2019.0119] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Quantum annealing with trigger Hamiltonians: Application to 2-satisfiability and nonstoquastic problems
Physical review / A 104(3), 032421 () [10.1103/PhysRevA.104.032421] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Federated Access to Collaborative Data and Compute Infrastructures
129 p () = Dissertation, University of Iceland, 2021 OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Programming Quantum Computers
Simulating Correlations with Computers
Autumn School on Correlated Electrons, JülichJülich, Germany, 20 Sep 2021 - 24 Sep 20212021-09-202021-09-24
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich, Modeling and Simulation 11, 323-358 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Scale setting the Möbius domain wall fermion on gradient-flowed HISQ action using the omega baryon mass and the gradient-flow scales t 0 and w 0
Physical review / D 103(5), 054511 () [10.1103/PhysRevD.103.054511] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Interdependence of a mechanosensitive anion channel and glutamate receptors in distal wound signaling
Science advances 7(37), eabg4298 () [10.1126/sciadv.abg4298] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Herschel observations of extraordinary sources: full Herschel /HIFI molecular line survey of Sagittarius B2(M)
Astronomy and astrophysics 651, A9 - () [10.1051/0004-6361/202040203] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Multiple magnetic states of CoPc molecule on a two-dimensional layer of NbSe 2
Journal of physics / Condensed matter 33(20), 205802 () [10.1088/1361-648X/abed64] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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TopSuite Web Server: A Meta-Suite for Deep-Learning-Based Protein Structure and Quality Prediction
Journal of chemical information and modeling 61(2), 548–553 () [10.1021/acs.jcim.0c01202] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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TopDomain: Exhaustive Protein Domain Boundary Metaprediction Combining Multisource Information and Deep Learning
Journal of chemical theory and computation 17(7), 4599–4613 () [10.1021/acs.jctc.1c00129] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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TopProperty: Robust Metaprediction of Transmembrane and Globular Protein Features Using Deep Neural Networks
Journal of chemical theory and computation 17(11), 7281 - 7289 () [10.1021/acs.jctc.1c00685] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Computational Analyses of the AtTPC1 (Arabidopsis Two-Pore Channel 1) Permeation Pathway
International journal of molecular sciences 22(19), 10345 - () [10.3390/ijms221910345] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Influence of Noisy Environments on Behavior of HPC Applications
Lobachevskii journal of mathematics 42(7), 1560 - 1570 () [10.1134/S1995080221070192] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Promiscuous Esterases Counterintuitively Are Less Flexible than Specific Ones
Journal of chemical information and modeling 61(5), 2383 - 2395 () [10.1021/acs.jcim.1c00152] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Impact of enzyme rigidity and flexibility on stability against environmental influences, promiscuity, and expression on large-scale
251 p. () = Dissertation, Heinrich-Heine-Universität Düsseldorf, 2021 OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The Antiferromagnetic Character of the Quantum Phase Transition in the Hubbard Model on the Honeycomb Lattice
Physical review / B 104(15), 155142 () [10.1103/PhysRevB.104.155142] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The Ising model with Hybrid Monte Carlo
Computer physics communications 265, 107978 () [10.1016/j.cpc.2021.107978] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Entwicklung und Implementierung eines Galerkinverfahrens zur numerischen Lösung eines Eigenwertproblems zu einer PDG vierter Ordnung für spezielle Geometrien
55 p. () = Bachelorarbeit, Fachhochschule Aachen, 2021 OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Simulating Correlations with Computers
Autumn School organized by the Institute for Advanced Simulation at Forschungszentrum Jülich, JülichJülich, 20 Sep 2021 - 24 Sep 20212021-09-202021-09-24 Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich Modeling and Simulation 11, 420 pp. () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A promiscuous ancestral enzyme´s structure unveils protein variable regions of the highly diverse metallo-β-lactamase family
Communications biology 4(1), 132 () [10.1038/s42003-021-01671-8] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Determining Gravity Wave Sources and Propagation in the Southern Hemisphere by Ray‐Tracing AIRS Measurements
Geophysical research letters 48(2), e2020GL088621 () [10.1029/2020GL088621] OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The Inhibitory Effect of a Coronavirus Spike Protein Fragment with ACE2
Biophysical journal 120(6), 1001-1010 () [10.1016/j.bpj.2020.08.022] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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CORE-MD II: A fast, adaptive, and accurate enhanced sampling method
The journal of chemical physics 155(10), 104114 - () [10.1063/5.0063664] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Molecular Dynamics with GROMACS
Porting applications to a Modular Supercomputer - Experiences from the DEEP-EST project Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag Jülich, Schriften des Forschungszentrums Jülich IAS Series 48, 47-80 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Significant interstellar object production by close stellar flybys
Astronomy and astrophysics 651, A38 - () [10.1051/0004-6361/202140587] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Interstellar Objects Follow the Collapse of Molecular Clouds
The astrophysical journal / 1 921(2), 168 - () [10.3847/1538-4357/ac0c10] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Close Stellar Flybys Common in Low-mass Clusters
The astrophysical journal / 1 921(1), 90 - () [10.3847/1538-4357/ac19aa] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Allosteric signaling in C-linker and cyclic nucleotide-binding domain of HCN2 channels
Biophysical journal 120(5), 950-963 () [10.1016/j.bpj.2021.01.017] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Neuroscience with NEST, Arbor and Elephant
Porting applications to a Modular Supercomputer - Experiences from the DEEP-EST project Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag Jülich, Schriften des Forschungszentrums Jülich IAS Series 48, 27-46 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Evidence for a credit-card-swipe mechanism in the human PC floppase ABCB4
Structure 29(10), 1144-1155.e5 () [10.1016/j.str.2021.05.013] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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QCD Transition Line and Correlators of Conserved Charges from Lattice QCD
On-line Meeting Criticality in QCD and the Hadron Resonance Gas, onlineonline, online, 29 Jul 2020 - 31 Jul 20202020-07-292020-07-31 Acta physica Polonica / B / Proceedings supplement 14(2), 281 pp. () [10.5506/APhysPolBSupp.14.281] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A climate service for ecologists: sharing pre-processed EURO-CORDEX regional climate scenario data using the eLTER Information System
Earth system science data 13(2), 631 - 644 () [10.5194/essd-13-631-2021] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Practice and Experience in Using Parallel and Scalable Machine Learning in Remote Sensing from HPC Over Cloud to Quantum Computing
2021 IEEE International Geoscience and Remote Sensing Symposium IGARSS : [Proceedings] - IEEE, 2021. - ISBN 978-1-6654-0369-6 - doi:10.1109/IGARSS47720.2021.9554656
IEEE International Geoscience and Remote Sensing Symposium, IGARSS 2021, BrusselsBrussels, Belgium, 12 Jul 2021 - 16 Jul 20212021-07-122021-07-16
IEEE 1571-1582 () [10.1109/IGARSS47720.2021.9554656] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Practice and Experience in using Parallel and Scalable Machine Learning with Heterogenous Modular Supercomputing Architectures
IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), PortlandPortland, USA, 17 Jun 2021 - 21 Jun 20212021-06-172021-06-21 IEEE 76-85 () [10.1109/IPDPSW52791.2021.00019] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Radio astronomy with the GPU Correlator, the GPU Imager and the FPGA Imager
Porting applications to a Modular Supercomputer - Experiences from the DEEP-EST project Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag Jülich, Schriften des Forschungszentrums Jülich IAS Series 48, 81-108 () 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 Dissertation / PhD Thesis
Multi-scale modeling of tumor development
115 p. () = Dissertation, HHU Düsseldorf, 2021 BibTeX | EndNote: XML, Text | RIS

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An Enhanced Sampling Approach to the Induced Fit Docking Problem in Protein-Ligand Binding: the case of mono-ADPribosylationhydrolases inhibitors
Journal of chemical theory and computation 17(12), 7899–7911 () [10.1021/acs.jctc.1c00649] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Machine-Learning-Based Control of Perturbed and Heated Channel Flows
High Performance Computing / Jagode, Heike (Editor)
ISC High Performance 2021, ISC2021, FrankfurtFrankfurt, Germany, 24 Jun 2021 - 2 Jul 20212021-06-242021-07-02
Springer, Lecture Notes in Computer Science 12761, 7 - 22 () [10.1007/978-3-030-90539-2_1] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The behavior of high-CAPE (convective available potential energy) summer convection in large-domain large-eddy simulations with ICON
Atmospheric chemistry and physics 21(6), 4285 - 4318 () [10.5194/acp-21-4285-2021] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Tracking the Footprints of Spin Fluctuations: A MultiMethod, MultiMessenger Study of the Two-Dimensional Hubbard Model
Physical review / X 11(1), 011058 () [10.1103/PhysRevX.11.011058] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Erratum: “AMBER-DYES in AMBER: Implementation of fluorophore and linker parameters into AmberTools” [J. Chem. Phys. 152, 221103 (2020)]
The journal of chemical physics 154(10), 109901 - () [10.1063/5.0046589] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Thermodynamic profile of mutual subunit control in a heteromeric receptor
Proceedings of the National Academy of Sciences of the United States of America 118(30), e2100469118 () [10.1073/pnas.2100469118] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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40 Years of Research on Polybrominated Diphenyl Ethers (PBDEs)—A Historical Overview and Newest Data of a Promising Anticancer Drug
Molecules 26(4), 995 - () [10.3390/molecules26040995] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Quantum versus classical dynamics in spin models: Chains, ladders, and square lattices
Physical review / B 104(5), 054415 () [10.1103/PhysRevB.104.054415] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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LAION-400M: Open Dataset of CLIP-Filtered 400 Million Image-Text Pairs
NeurIPS Workshop Datacentric AI, DCAI2021, onlineonline, online, 14 Dec 2021 - 14 Dec 20212021-12-142021-12-14 5 p. () OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Can deep learning beat numerical weather prediction?
Philosophical transactions of the Royal Society of London / A 379(2194), 20200097 () [10.1098/rsta.2020.0097] special issue: "Machine learning for weather and climate modelling" OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Enhancing Large Batch Size Training of Deep Models for Remote Sensing Applications
2021 IEEE International Geoscience and Remote Sensing Symposium IGARSS : [Proceedings] - IEEE, 2021. - ISBN 978-1-6654-0369-6 - doi:10.1109/IGARSS47720.2021.9555136
IEEE International Geoscience and Remote Sensing Symposium, IGARSS 2021, BrusselsBrussels, Belgium, 12 Jul 2021 - 16 Jul 20212021-07-122021-07-16
IEEE 1583-1586 () [10.1109/IGARSS47720.2021.9555136]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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A High-Performance Multispectral Adaptation GAN for Harmonizing Dense Time Series of Landsat-8 and Sentinel-2 Images
IEEE journal of selected topics in applied earth observations and remote sensing 14, 10134 - 10146 () [10.1109/JSTARS.2021.3115604] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Biometric covariates and outcome in COVID-19 patients: are we looking close enough?
BMC infectious diseases 21(1), 1136 () [10.1186/s12879-021-06823-z] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Trends in the hyperfine interactions of magnetic adatoms on thin insulating layers
npj computational materials 7(1), 87 () [10.1038/s41524-021-00556-y] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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$P$-wave nucleon-pion scattering amplitude in the $\Delta(1232)$ channel from lattice QCD
Physical review / D 103(9), 094508 () [10.1103/PhysRevD.103.094508] 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 Dissertation / PhD Thesis
Baryon Resonances on the lattice: the P-wave nucleon-pion scattering amplitude in the ∆(1232) channel
xiii, 111 () = Dissertation, Wuppertal, 2021 OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Magnetized current filaments as a source of circularly polarized light
Journal of plasma physics 87(1), 905870114 () [10.1017/S0022377821000040] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Using Performance Analysis Tools for a Parallel-in-Time Integrator
Parallel-in-Time Integration Methods
9th Workshop on Parallel-in-Time Integration, PinT9, onlineonline, online, 8 Jun 2020 - 12 Jun 20202020-06-082020-06-12
Cham : Springer International Publishing, Springer Proceedings in Mathematics & Statistics 356, 51 - 80 () [10.1007/978-3-030-75933-9_3] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Modular Supercomputing for Neuroscience
Brain-Inspired Computing / Amunts, Katrin (Editor) [https://orcid.org/0000-0001-5828-0867] ; Cham : Springer International Publishing, 2021, Chapter 5 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-030-82426-6=978-3-030-82427-3 ; doi:10.1007/978-3-030-82427-3
BrainComp 2019 - Workshop on Brain-Inspired Computing, CetraroCetraro, Italy, 15 Jul 2019 - 19 Jul 20192019-07-152019-07-19
Cham : Springer International Publishing, Lecture Notes in Computer Science 12339, 63-80 () [10.1007/978-3-030-82427-3_5] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The DEEP-EST project
Porting applications to a Modular Supercomputer - Experiences from the DEEP-EST project Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich IAS Series 48, 9-25 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Critical Analysis of the Modular Supercomputing Architecture
Porting applications to a Modular Supercomputer - Experiences from the DEEP-EST project Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag Jülich, Schriften des Forschungszentrums Jülich IAS Series 48, 233-245 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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JURECA: Data Centric and Booster Modules implementing the Modular Supercomputing Architecture at Jülich Supercomputing Centre
Journal of large-scale research facilities 7, A182 () [10.17815/jlsrf-7-182] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Exploring the impact of node failures on the resource allocation for parallel jobs
14th Workshop on Resiliency in High Performance Computing (Resilience) in Clusters, Clouds, and Grids, LisbonLisbon, Portugal, 30 Aug 2021 - 30 Aug 20212021-08-302021-08-30 12 p. () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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JUSUF: Modular Tier-2 Supercomputing and Cloud Infrastructure at Jülich Supercomputing Centre
Journal of large-scale research facilities 7, A179 () [10.17815/jlsrf-7-179] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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pyrexMD: Workflow-Orientated Python Package for Replica Exchange Molecular Dynamics
The journal of open source software 6(68), 3325 - () [10.21105/joss.03325] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Dynamic particle swarm optimization of biomolecular simulation parameters with flexible objective functions
Nature machine intelligence 3(8), 727 - 734 () [10.1038/s42256-021-00366-3] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Mountain-wave-induced polar stratospheric clouds and their representation in the global chemistry model ICON-ART
Atmospheric chemistry and physics 21(12), 9515 - 9543 () [10.5194/acp-21-9515-2021] OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Bachelor Thesis
Untersuchung der Auswirkung unterschiedlicher Prozess-Pinning Strategien anhand von verschiedenen Benchmarks auf HPC Systemen
59 p. () = Bachelorarbeit, FH Aachen, 2021 OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Solution to the modified Helmholtz equation for arbitrary periodic charge densities
Frontiers in physics 8, 618142 () [10.3389/fphy.2020.618142] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Including in situ visualization and analysis in PDI
ISC High Performance Digital 2021 International Workshops, FrankfurtFrankfurt, Germany, 24 Jun 2021 - 2 Jul 20212021-06-242021-07-02 Cham : Springer, Lecture Notes in Computer Science 12761, 508-512 () [10.1007/978-3-030-90539-2_35] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Using vertical phase differences to better resolve 3D gravity wave structure
Atmospheric measurement techniques 14(9), 5873 - 5886 () [10.5194/amt-14-5873-2021] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Machine learning to alleviate Hubbard-model sign problems
Physical review / B 103(12), 125153 () [10.1103/PhysRevB.103.125153] OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Bachelor Thesis
Evolving autonomous agents with simulated brains using L2L and Netlogo
Jülich 76 p () = Bachelorarbeit, RWTH Aachen, 2021 OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Multilevel simulation-based co-design of next generation HPC microprocessors
SC workshop proceedings
The 12th International Workshop on Performance Modeling, Benchmarking and Simulation of High-Performance Computer Systems, PMBS21, St. LouisSt. Louis, USA, 15 Nov 2021 - 15 Nov 20212021-11-152021-11-15
12 p. () 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 Dissertation / PhD Thesis
RNA Structure Prediction Guided by Co-evolutionary Information | Method Development and Applications
111 p. () = Dissertation, Duisburg/ Essen, 2021 BibTeX | EndNote: XML, Text | RIS

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CoCoNet—boosting RNA contact prediction by convolutional neural networks
Nucleic acids research 49(22), 12661 - 12672 () [10.1093/nar/gkab1144] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Solving the Bethe-Salpeter equation on massively parallel architectures
Computer physics communications 267, 108081 () [10.1016/j.cpc.2021.108081] OpenAccess  Download fulltext Files  Download fulltextFulltext by arXiv.org Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Empirical evidence for deep convection being a major source of stratospheric ice clouds over North America
Atmospheric chemistry and physics 21(13), 10457 - 10475 () [10.5194/acp-21-10457-2021] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The two redox states of the human NEET proteins’ [2Fe–2S] clusters
Journal of biological inorganic chemistry 26, 763–774 () [10.1007/s00775-021-01890-8] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Last Modified: 20.03.2022