Publikationen 2023
Journal Article
Large scale performance analysis of distributed deep learning frameworks for convolutional neural networks
Journal of Big Data 10(1), 96 (2023) [10.1186/s40537-023-00765-w]
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Contribution to a conference proceedings
Short Paper: Accelerating Hyperparameter Optimization Algorithms with Mixed Precision
SC-W 2023: Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis, SC 2023, Denver, CODenver, CO, USA, 12 Nov 2023 - 17 Nov 2023
ACM New York, NY, USA 1776–1779 (2023) [10.1145/3624062.3624259]
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Contribution to a conference proceedings/Contribution to a book
Optimal Resource Allocation for Early Stopping-based Neural Architecture Search Methods
Second International Conference on Automated Machine Learning, PotsdamPotsdam, Germany, 12 Nov 2023 - 15 Nov 2023
PMLR, Proceedings of Machine Learning Research 228, 12/1--17 (2023) [10.34734/FZJ-2024-01461]
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Journal Article
Temporal Structures in Electron Spectra and Charge Sign Effects in Galactic Cosmic Rays
Physical review letters 130(16), 161001 (2023) [10.1103/PhysRevLett.130.161001]
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Journal Article
Temporal Structures in Positron Spectra and Charge-Sign Effects in Galactic Cosmic Rays
Physical review letters 131(15), 151002 (2023) [10.1103/PhysRevLett.131.151002]
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Journal Article
Properties of Cosmic-Ray Sulfur and Determination of the Composition of Primary Cosmic-Ray Carbon, Neon, Magnesium, and Sulfur: Ten-Year Results from the Alpha Magnetic Spectrometer
Physical review letters 130(21), 211002 (2023) [10.1103/PhysRevLett.130.211002]
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Contribution to a conference proceedings/Contribution to a book
$\mathbf{c_\textbf{SW}}$ at One-Loop Order for Brillouin Fermions
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) - Sissa Medialab Trieste, Italy, 2022. - ISBN - doi:10.22323/1.430.0289
Lattice 2022, Lattice 2022, BonnBonn, Germany, 8 Aug 2022 - 13 Aug 2022
Sissa Medialab Trieste, Italy 289 pp. (2023) [10.22323/1.430.0289]
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Report
Evaluation of Uncertainties in Linear-Optimizing Energy System Models Using Neural Networks - Compendium
Deutsches Zentrum für Luft- und Raumfahrt (DLR) 95 p. (2023) [10.57676/W2RQ-BJ85]
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Journal Article
Unbound stars hold the key to young star cluster history
Astronomy and astrophysics 670, A128 (2023) [10.1051/0004-6361/202245242]
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Report
An extensive guide to the tools developed
108p. (2023) [10.34734/FZJ-2024-02071]
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Journal Article
Remote infrared view of JET divertor compatible with D-T operations
Plasma physics and controlled fusion 65(9), 094002 (2023) [10.1088/1361-6587/ace6d3]
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Journal Article
Remote wide angle view broad wavelength viewing system compatible with D-T operations in JET
Plasma physics and controlled fusion 65(6), 064005 - (2023) [10.1088/1361-6587/accecc]
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Journal Article
Wigner Distribution Deconvolution Adaptation for Live Ptychography Reconstruction
Microscopy and microanalysis 29(3), 994–1008 (2023) [10.1093/micmic/ozad021]
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Journal Article
Analysis of Chest X-ray for COVID-19 Diagnosis as a Use Case for an HPC-Enabled Data Analysis and Machine Learning Platform for Medical Diagnosis Support
Diagnostics 13(3), 391 (2023) [10.3390/diagnostics13030391] special issue: "Artificial Intelligence in Image-Based Screening, Diagnostics, and Clinical Care of Cardiopulmonary Diseases-Volume 2"
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Journal Article
Developing an Artificial Intelligence-Based Representation of a Virtual Patient Model for Real-Time Diagnosis of Acute Respiratory Distress Syndrome
Diagnostics 13(12), 2098 (2023) [10.3390/diagnostics13122098] special issue: "AI-Driven Intelligent Health Care Diagnostic Solutions: A Machine Learning Approach"
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Book/Dissertation / PhD Thesis
Design and Evaluation of Parallel and Scalable Machine Learning Research in Biomedical Modelling Applications
Reykjavík, Iceland xxiv, 108 (2023) [10.34734/FZJ-2023-02488] = Dissertation, Háskóli Íslands, 2023
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Journal Article
CARRoT: R-package for predictive modelling by means of regression, adjusted for multiple regularisation methods
PLOS ONE 18(10), e0292597 (2023) [10.1371/journal.pone.0292597]
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Journal Article
Using Regionalized Air Quality Model Performance and Bayesian Maximum Entropy data fusion to map global surface ozone concentration
Elementa 11(1), 00025 (2023) [10.1525/elementa.2022.00025]
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Journal Article
Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Aβ(1–42) Amyloid Fibrils
Journal of the American Chemical Society 145(4), 2161–2169 (2023) [10.1021/jacs.2c09231]
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Journal Article
Graph Machine Learning for Improved Imputation of Missing Tropospheric Ozone Data
Environmental science & technology 57, 18246-18258 (2023) [10.1021/acs.est.3c05104] special issue: "Data Science for Advancing Environmental Science, Engineering and Technology"
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Dissertation / PhD Thesis
Mapping and Interpolation of Tropospheric Ozone Data with Machine Learning Methods
Bonn : Universitäts- und Landesbibliothek Bonn 167 p. (2023) [10.48565/BONNDOC-179] = Dissertation, Universität Bonn, 2023
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Contribution to a book
AI Super-Resolution: Application to Turbulence and Combustion
Machine Learning and Its Application to Reacting Flows / Swaminathan, Nedunchezhian (Editor) ; Cham : Springer International Publishing, 2023, Chapter 10 ; ISSN: 2195-1284=2195-1292 ; ISBN: 978-3-031-16247-3=978-3-031-16248-0 ; doi:10.1007/978-3-031-16248-0
Cham : Springer International Publishing, Lecture Notes in Energy 44, 279 - 305 (2023) [10.1007/978-3-031-16248-0_10]
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Contribution to a conference proceedings
An AI Super-Resolution Method for Subfilter Modeling of Interfacial Flows
11th International Conference on Multiphase Flow, ICMF, KobeKobe, Japan, 2 Apr 2023 - 7 Apr 2023
1-2 (2023)
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Contribution to a conference proceedings/Contribution to a book
AI Super-Resolution Subfilter Modeling for Multi-Physics Flows
Proceedings of the Platform for Advanced Scientific Computing Conference - ACM New York, NY, USA, 2023. - ISBN 9798400701900 - doi:10.1145/3592979.3593414
PASC '23: Platform for Advanced Scientific Computing Conference, DavosDavos, Switzerland, 26 Jun 2023 - 28 Jun 2023
ACM New York, NY, USA 1-10 (2023) [10.1145/3592979.3593414]
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Journal Article/Contribution to a conference proceedings/Contribution to a book
AI Super-Resolution-Based Subfilter Modeling for Finite-Rate-Chemistry Flows: A Jet Flow Case Study
: [Proceedings] - , 2023. - ISBN - doi:10.4271/2023-01-0200
WCX SAE World Congress Experience, DetroitDetroit, USA, 18 Apr 2023 - 20 Apr 2023
SAE Technical Paper 1 - 10 (2023) [10.4271/2023-01-0200]
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Journal Article
Applying physics-informed enhanced super-resolution generative adversarial networks to turbulent premixed combustion and engine-like flame kernel direct numerical simulation data
Proceedings of the Combustion Institute 39(4), 5289-5298 (2023) [10.1016/j.proci.2022.07.254]
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Journal Article
Topological features of the deconfinement transition
Physical review / D 107(5), 054514 (2023) [10.1103/PhysRevD.107.054514]
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Journal Article
Observations of 4.26 μm CO2 Auroral Emissions From AIRS Nadir Sounder Measurements
Geophysical research letters 50(11), e2023GL103856 (2023) [10.1029/2023GL103856]
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Dissertation / PhD Thesis
ParaDiag and Collocation Methods: Theory and Implementation
Karlsruher Institut für Technologie (KIT) 103 pp. (2023) [10.5445/IR/1000164518] = Dissertation, Karlsruher Institut für Technologie (KIT), 2023
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Contribution to a conference proceedings
White paper: Towards Regenerative Quantum Computing with proven positive sustainability impact
COP28UAE - United Nations Climate Change Conference, DubaiDubai, United Arab Emirates, 30 Nov 2023 - 13 Dec 2023
1-72 (2023) [10.34734/FZJ-2023-05910]
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Contribution to a conference proceedings/Contribution to a book
Challenges and Opportunities in the Adoption of High Performance Computing for Earth Observation in the Exascale Era
Proceedings of the 2023 Conference on Big Data from Space (BiDS’23) - From foresight to impact
Conference on Big Data from Space 2023, BiDS’23, ViennaVienna, Austria, 6 Nov 2023 - 9 Nov 2023
Publications Office of the European Union 25-28 (2023) [10.2760/46796]
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Journal Article
Climate storylines as a way of bridging the gap between information and decision-making in hydrological risk
PLOS climate 2(8), e0000270 - (2023) [10.1371/journal.pclm.0000270]
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Book/Dissertation / PhD Thesis
Plasma Breakdown and Runaway Modelling in ITER-scale Tokamaks
57, 172 pages: Illustrations, plots (2023) [10.34734/FZJ-2023-05523] = Dissertation, Ruhr-Universität Bochum, 2023
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Book/Dissertation / PhD Thesis
Plasma Breakdown and Runaway Modelling in ITER-scale Tokamaks
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich IAS Series 57, xv, 172 (2023) [10.34734/FZJ-2023-05580] = Dissertation, Univ. Bochum, 2022
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Journal Article
Orbital magnetoelectric effect in nanoribbons of transition metal dichalcogenides
Physical review / B 107(11), 115402 (2023) [10.1103/PhysRevB.107.115402]
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Journal Article
SPEADI: Accelerated Analysis of IDP-Ion Interactions from MD-Trajectories
Biology 12(4), 581 - (2023) [10.3390/biology12040581] special issue: "Intrinsically Disordered Proteins Interactions with Their Molecular Environment at the Crossroad between Theory and Experiments"
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Journal Article
Einstein–Podolsky–Rosen–Bohm experiments: A discrete data driven approach
Annals of physics 453, 169314 (2023) [10.1016/j.aop.2023.169314]
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Journal Article
Perspectives of physics-based machine learning strategies for geoscientific applications governed by partial differential equations
Geoscientific model development 16(24), 7375 - 7409 (2023) [10.5194/gmd-16-7375-2023]
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Journal Article
Loading and Co-Solvent-Triggered Release of Okanin, a C4 Plant Key Enzyme Inhibitor, into/from Functional Microgels
The chemical engineering journal 460, 141631 (2023) [10.1016/j.cej.2023.141631]
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Journal Article
Resolution of Maximum Entropy Method-Derived Posterior Conformational Ensembles of a Flexible System Probed by FRET and Molecular Dynamics Simulations
Journal of chemical theory and computation 19(8), 2389 - 2409 (2023) [10.1021/acs.jctc.2c01090]
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Journal Article
EESSI: A cross‐platform ready‐to‐use optimised scientific software stack
Software <Chichester> 53(1), 176-210 (2023) [10.1002/spe.3075] special issue: "New Trends in High-Performance Computing: Software Systems and Applications"
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Journal Article
Portable CPU implementation of Wilson, Brillouin and Susskind fermions in lattice QCD
Computer physics communications 282, 108555 - (2023) [10.1016/j.cpc.2022.108555]
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Contribution to a conference proceedings
Hearts Gym: Learning Reinforcement Learning as a Team Event
Third Teaching Machine Learning and Artificial Intelligence Workshop at ECML, GrenobleGrenoble, France, 19 Sep 2022 - 23 Sep 2022
PMLR 207, : 3rd ed., 16-21 (2023) [10.34734/FZJ-2024-00243]
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Journal Article
Cumulative Millisecond-Long Sampling for a Comprehensive Energetic Evaluation of Aqueous Ionic Liquid Effects on Amino Acid Interactions
Journal of chemical information and modeling 63(1), 281–298 (NA) [10.1021/acs.jcim.2c01123]
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Proceedings
NEST Conference 2023 Contributions
NEST Conference 2023, virtualvirtual, virtual, 15 Jun 2023 - 16 Jun 2023
Zenodo (2023) [10.5281/ZENODO.8014764]
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Contribution to a conference proceedings/Contribution to a book
Transverse momentum-dependent parton distributions for longitudinally polarized nucleons from domain wall fermion calculations at the physical pion mass
Proceedings of The 39th International Symposium on Lattice Field Theory
The 39th International Symposium on Lattice Field Theory, Lattice2022, BonnBonn, Germany, 8 Aug 2022 - 13 Aug 2022
Trieste : Sissa Medialab Trieste, Italy 9 p. (2023) [10.22323/1.430.0103]
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Journal Article
Deep-Learning-Based 3-D Surface Reconstruction—A Survey
Proceedings of the IEEE 111(11), 1464 - 1501 (2023) [10.1109/JPROC.2023.3321433]
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Contribution to a conference proceedings
11th EGU Galileo Conference: Solid Earth and Geohazards in the Exascale Era Consensual Document
11th EGU Galileo Conference, BarcelonaBarcelona, Spain, 23 May 2023 - 26 May 2023
CSIC - Instituto de Geociencias Barcelona (GEO3BCN) 1-20 (2023) [10.20350/DIGITALCSIC/15439]
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Journal Article/Contribution to a conference proceedings
Implementation of ResNet-50 for the Detection of ARDS in Chest X-Rays using transfer-learning
16. Interdisziplinäres Symposium Automatisierungstechnische Verfahren für die Medizintechnik, AUTOMED, GießenGießen, Germany, 30 Mar 2023 - 31 Mar 2023
Proceedings on automation in medical engineering 2(1), ID 742 (2023)
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Contribution to a conference proceedings/Contribution to a book
Gauge generation and dissemination in OpenLat
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) - Sissa Medialab Trieste, Italy, 2023. - ISBN - doi:10.22323/1.430.0426
The 39th International Symposium on Lattice Field Theory, BonnBonn, Germany, 8 Aug 2022 - 13 Aug 2022
Sissa Medialab Trieste, Italy 426 pp. (2023) [10.22323/1.430.0426]
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A multi-perspective approach for exploring the scenario space of future power systems
Operations Research Proceedings 2022 / Grothe, Oliver (Editor) ; Cham : Springer International Publishing, 2023, Chapter 13 ; ISSN: 2731-040X=2731-0418 ; ISBN: 978-3-031-24906-8=978-3-031-24907-5 ; doi:10.1007/978-3-031-24907-5
International Conference on Operations Research, OR 2022, KarlsruheKarlsruhe, Germany, 6 Sep 2022 - 9 Sep 2022
Cham : Springer International Publishing, Lecture Notes in Operations Research 105-112 (2023) [10.1007/978-3-031-24907-5_13]
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Journal Article
European Human Brain Project Celebrates Successful Conclusion
Innovatives Supercomputing in Deutschland 32-2, 28-29 (2023)
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Review/Book/Journal Article
Automatisiertes Frühwarnsystem senkt Sterblichkeit bei Klinikpatienten
Winslow C et al. The Impact of a Machine Learning Early Warning Score on Hospital Mortality: A Multicenter Clinical Intervention Trial. Crit Care Med 2022; 50: 1339–1347
Journal Club AINS 12(01), 11 - 12 (2023) [10.1055/a-1967-7840]
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Review/Book/Journal Article
Sepsis: Praktikabler Maßnahmenkatalog mithilfe künstlicher Intelligenz
Kalimouttou A et al. Machine-learning-derived sepsis bundle of care. Intensive Care Med 2023; 49: 26–36
Journal Club AINS 12(02), 86 - 88 (2023) [10.1055/a-2025-8506]
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Journal Article
A Unified Analysis Framework for Iterative Parallel-in-Time Algorithms
SIAM journal on scientific computing 45(5), A2275 - A2303 (2023) [10.1137/22M1487163]
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Journal Article
Connecting Tikhonov regularization to the maximum entropy method for the analytic continuation of quantum Monte Carlo data
Physical review / B 107(8), 085129 (2023) [10.1103/PhysRevB.107.085129]
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Journal Article
Generalized maximum entropy methods as limits of the average spectrum method
Physical review / B 108(20), L201107 (2023) [10.1103/PhysRevB.108.L201107]
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Journal Article
AI-based identification of therapeutic agents targeting GPCRs: introducing ligand type classifiers and systems biology
Chemical science 14(32), 8651-8661 (2023) [10.1039/D3SC02352D]
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Journal Article
Veränderungen der Wasserspeicherung in Deutschland seit 2002 aus Beobachtungen der Satellitengravimetrie
Hydrologie und Wasserbewirtschaftung 67(2), 74-89 (2023) [10.5675/HYWA_2023.2_1]
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Journal Article
Using heterogeneous GPU nodes with a Cabana-based implementation of MPCD
Parallel computing 117, 103033 (2023) [10.1016/j.parco.2023.103033]
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Contribution to a conference proceedings/Contribution to a book
Kokkos-Based Implementation of MPCD on Heterogeneous Nodes
International Conference on Parallel Processing and Applied Mathematics, PPAM 2022, GdanskGdansk, Poland, 11 Sep 2022 - 14 Sep 2022
Cham : Springer International Publishing, Lecture Notes in Computer Science 13827, 3-13 (2023) [10.1007/978-3-031-30445-3_1]
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Dissertation / PhD Thesis
Integrated Terrestrial Simulations over Europe: Groundwater-Atmosphere Feedbacks with Altered Water Tables Including the Effect of Recent Droughts
117p (2023) = Dissertation, University of Bonn, 2023
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Journal Article
Deciphering the dynamics of distorted turbulent flows: Lagrangian particle tracking and chaos prediction through transformer-based deep learning models
Physics of fluids 35(7), 075118 (2023) [10.1063/5.0157897]
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Journal Article
An experiment generates a specified mean strained rate turbulent flow: Dynamics of particles
Physics of fluids 35(1), 015124 (2023) [10.1063/5.0134306]
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Contribution to a conference proceedings
A proposed hybrid two-stage DL-HPC method for wind speed forecasting: using the first average forecast output for long-term forecasting
Proceedings of the IACM Computational Fluids Conference (CFC2023), CFC2023, CannesCannes, France, 25 Apr 2023 - 28 Apr 2023
- (2023)
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Journal Article
Buckling Assessment in the Dynamics Mechanisms, Stewart Platform Case Study: In the Context of Loads and Joints, Deflection Positions Gradient
Computation 11(11), 227 (2023) [10.3390/computation11110227]
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Journal Article
Leading-Edge Erosion and Floating Particles: Stagnation Point Simulation in Particle-Laden Turbulent Flow via Lagrangian Particle Tracking
Machines 11(5), 566 (2023) [10.3390/machines11050566]
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Journal Article
Iceland wind farm assessment case study and development: An empirical data from wind and wind turbine
Cleaner energy systems 4, 100058 (2023) [10.1016/j.cles.2023.100058]
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Journal Article
CAG-Repeat RNA Hairpin Folding and Recruitment to Nuclear Speckles with a Pivotal Role of ATP as a Cosolute
Journal of the American Chemical Society 145(17), 9571 - 9583 (2023) [10.1021/jacs.2c13653]
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Journal Article
Spin- 1/2 XXZ chain coupled to two Lindblad baths: Constructing nonequilibrium steady states from equilibrium correlation functions
Physical review / B 108(20), L201119 (2023) [10.1103/PhysRevB.108.L201119]
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Journal Article
Impact of the injector lateral offset on the dynamics of a lean premixed flame and the thermoacoustic stability of a burner
Combustion and flame 256, 112995 (2023) [10.1016/j.combustflame.2023.112995]
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Journal Article
Development of a scoring function for comparing simulated and experimental tumor spheroids
PLoS Computational Biology 19(3), e1010471 - (2023) [10.1371/journal.pcbi.1010471]
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Journal Article
Using machine learning to parametrize large scale tumor simulations
Biophysical journal 122(3), 413a (2023) [10.1016/j.bpj.2022.11.2243]
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Contribution to a conference proceedings/Contribution to a book
Many Cores, Many Models: GPU Programming Model vs. Vendor Compatibility Overview
Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis
SC-W 2023: Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis, SC-W23, Denver, CODenver, CO, USA, 12 Nov 2023 - 17 Nov 2023
ACM New York, NY, USA 1019–1026 (2023) [10.1145/3624062.3624178]
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Journal Article
Lagrangian transport simulations using the extreme convection parameterization: an assessment for the ECMWF reanalyses
Atmospheric chemistry and physics 23(13), 7589–7609 (2023) [10.5194/acp-23-7589-2023]
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Contribution to a conference proceedings/Contribution to a book
Scalable Flow Simulations with the Lattice Boltzmann Method
Proceedings of the 20th ACM International Conference on Computing Frontiers - ACM New York, NY, USA, 2023. - ISBN 9798400701405 - doi:10.1145/3587135.3592176
CF '23: 20th ACM International Conference on Computing Frontiers, BolognaBologna, Italy, 9 May 2023 - 11 May 2023
ACM New York, NY, USA 297–303 (2023) [10.1145/3587135.3592176]
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Journal Article
Response to: Correspondence on 'PICaSSO Histologic Remission Index (PHRI) in ulcerative colitis: development of a novel simplified histological score for monitoring mucosal healing and predicting clinical outcomes and its applicability in an artificial intelligence system' by Wong et al
Gut 72(4), 807-808 (2023) [10.1136/gutjnl-2022-327980]
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Journal Article
Importance of internal variability for climate model assessment
npj climate and atmospheric science 6(1), 68 (2023) [10.1038/s41612-023-00389-0]
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Improved Variational Quantum Eigensolver Via Quasidynamical Evolution
Physical review applied 19(2), 024047 (2023) [10.1103/PhysRevApplied.19.024047]
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Dissertation / PhD Thesis
Applications of variational methods for quantum computers
Aachen vii, 160 (2023) = Dissertation, RWTH Aachen University, 2022
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Applications of variational methods for quantum computers
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich IAS Series 53, vii, 160 (2023) [10.34734/FZJ-2023-03182] = Dissertation, RWTH Aachen, 2022
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A Shim Layer for Transparently Adding Meta Data to MPI Handles
30th European MPI Users' Group Meeting, EUROMPI '23, BristolBristol, United Kingdom, 11 Sep 2023 - 13 Sep 2023
NY, USA : ACM New York, Proceedings of the 30th European MPI Users' Group Meeting 1-9 (2023) [10.1145/3615318.3615324]
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OpenGPT-X: Novel Architecture Exploration
WHPC@SC23: 16th International Women in HPC Workshop, WHPC@SC23, Denver, ColoradoDenver, Colorado, USA, 12 Nov 2023 - 17 Nov 2023
2 pp. (2023) [10.34734/FZJ-2023-05369]
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JSC Guest Student Programme Proceedings 2021
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich IAS Series 52, ii, 82 pp. (2023)
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A Petri-Net-Based Approach to Modeling Communication Algorithms for HPC Molecular Dynamics Simulations
PNSE@Petri Nets 2023, LisbonLisbon, Portugal, 27 Jun 2023 - 27 Jun 2023
CEUR workshop proceedings 3430, (2023) [10.34734/FZJ-2023-05524]
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A novel binding site in the nicotinic acetylcholine receptor for MB327 can explain its allosteric modulation relevant for organophosphorus-poisoning treatment
Toxicology letters 373, 160-171 (2023) [10.1016/j.toxlet.2022.11.018]
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Parallel tempering algorithm applied to the deconfinement transition of quenched QCD
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) - Sissa Medialab Trieste, Italy, 2023. - ISBN - doi:10.22323/1.430.0178
The 39th International Symposium on Lattice Field Theory, BonnBonn, Germany, 8 Aug 2022 - 13 Aug 2022
Sissa Medialab Trieste, Italy 8 p. (2023) [10.22323/1.430.0178]
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Journal Article
Effects of Within-Storm Variability on Allochthonous Flash Flooding: A Synthetic Study
Water 15(4), 645 - (2023) [10.3390/w15040645]
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The SPARC water vapour assessment II: biases and drifts of water vapour satellite data records with respect to frost point hygrometer records
Atmospheric measurement techniques 16(19), 4589 - 4642 (2023) [10.5194/amt-16-4589-2023] special issue: "Water vapour in the upper troposphere and middle atmosphere: a WCRP/SPARC satellite data quality assessment including biases, variability, and drifts"
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Exchange Mechanisms
Orbital Physics in Correlated Matter
Autumn School on Correlated Electrons, correl23, JülichJülich, Germany, 18 Sep 2023 - 22 Sep 2023
Jülich : Forschungszentrum Jülich, Modeling and Simulation 13, 5.1-31 (2023) [10.34734/FZJ-2023-04883]
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PyDapsys: an open-source library for accessing electrophysiology data recorded with DAPSYS
Frontiers in neuroinformatics 17, 1250260 (2023) [10.3389/fninf.2023.1250260]
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Combining structural and coevolution information to unveil allosteric sites
Chemical science 14(25), 7057-7067 (2023) [10.1039/D2SC06272K]
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Book/Dissertation / PhD Thesis
Real-time simulations of transmon systems with time-dependent Hamiltonian models
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich IAS Series 56, iii, 166, XXX (2023) [10.34734/FZJ-2023-03740] = Dissertation, RWTH Aachen University, 2023
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Fragility of gate-error metrics in simulation models of flux-tunable transmon quantum computers
Physical review / A 108(2), 022604 (2023) [10.1103/PhysRevA.108.022604]
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Journal Article
O3ResNet: A Deep Learning–Based Forecast System to Predict Local Ground-Level Daily Maximum 8-Hour Average Ozone in Rural and Suburban Environments
Artificial Intelligence for the Earth Systems 2(3), 1 - 16 (2023) [10.1175/AIES-D-22-0085.1]
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Transition from backward to sideward stimulated Raman scattering with broadband lasers in plasmas
Matter and radiation at extremes 8(6), 065601 (2023) [10.1063/5.0152668]
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Journal Article
Concentric Traveling Ionospheric Disturbances (CTIDs) Triggered by the 2022 Tonga Volcanic Eruption
JGR / Space physics 128(2), e2022JA030656 (2023) [10.1029/2022JA030656]
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Journal Article
Improved representation of volcanic sulfur dioxide depletion in Lagrangian transport simulations: a case study with MPTRAC v2.4
Geoscientific model development 16(17), 5197 - 5217 (2023) [10.5194/gmd-16-5197-2023]
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Foundations of attribution in climate-change science
Environmental research: climate 2(3), 035014 - (2023) [10.1088/2752-5295/aceea1]
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Optimization of weather forecasting for cloud cover over the European domain using the meteorological component of the Ensemble for Stochastic Integration of Atmospheric Simulations version 1.0
Geoscientific model development 16(3), 1083 - 1104 (2023) [10.5194/gmd-16-1083-2023]
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Enhanced simulations of whole-brain dynamics using hybrid resting-state structural connectomes
Frontiers in computational neuroscience 17, 1295395 (2023) [10.3389/fncom.2023.1295395]
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Journal Article
Enzyme adaptation to habitat thermal legacy shapes the thermal plasticity of marine microbiomes
Nature Communications 14(1), 1045 (2023) [10.1038/s41467-023-36610-0]
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A Summer School Session on Mastering Geospatial Artificial Intelligence: From Data Production to Artificial Intelligence Foundation Model Development and Downstream Applications [Technical Committees]
IEEE geoscience and remote sensing magazine 11(3), 129 - 132 (2023) [10.1109/MGRS.2023.3302813]
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Scaling Computational Fluid Dynamics: In Situ Visualization of NekRS using SENSEI
Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis - ACM New York, NY, USA, 2023
Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis, SC-W 2023, Denver, CODenver, CO, USA, 12 Nov 2023 - 17 Nov 2023
New York, USA : Association for Computing Machinery 862–867 (2023) [10.1145/3624062.3624159]
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Journal Article
NoC-based hardware software co-design framework for dataflow thread management
The journal of supercomputing 79, 17983-18020 (2023) [10.1007/S11227-023-05335-8]
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Journal Article
Novel architecture for gated recurrent unit autoencoder trained on time series from electronic health records enables detection of ICU patient subgroups
Scientific reports 13(1), 4053 (2023) [10.1038/s41598-023-30986-1]
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Enhancing Distributed Neural Network Training Through Node-Based Communications
IEEE transactions on neural networks and learning systems 35, 1 - 15 (2023) [10.1109/TNNLS.2023.3309735]
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Modular Supercomputing and its Role in Europe’s Exascale Computing Strategy
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) - Sissa Medialab Trieste, Italy, 2023. - ISBN - doi:10.22323/1.430.0245
The 39th International Symposium on Lattice Field Theory, BonnBonn, Germany, 8 Aug 2022 - 13 Aug 2022
Trieste, Italy : Sissa Medialab Trieste, Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) 17p. (2023) [10.22323/1.430.0245]
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Journal Article
Manipulating the Spin Orientation of Co Atoms Using Monatomic Cu Chains
Nano letters 23(19), 8988 - 8994 (2023) [10.1021/acs.nanolett.3c02532]
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Report
3. Helmholtz Open Science Forum Forschungssoftware. Helmholtz Open Science Briefing
Helmholtz Open Science Office 9 pages, 8 MB (2023) [10.48440/OS.HELMHOLTZ.057]
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Towards a neural network based flux density prediction – Using generative models to enhance CSP raytracing
THE INTERNATIONAL CONFERENCE ON BATTERY FOR RENEWABLE ENERGY AND ELECTRIC VEHICLES (ICB-REV) 2022, South TangerangSouth Tangerang, Indonesia, 27 Sep 2021 - 1 Oct 2021
AIP Publishing 030015-1–030015-12 (2023) [10.1063/5.0148765] special issue: "SolarPACES: Solar Power & Chemical Energy Systems"
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In Situ Enhancement of Heliostat Calibration Using Differentiable Ray Tracing and Artificial Intelligence
28th International Conference on Concentrating Solar Power and Chemical Energy Systemsf CSP and Hybridized Systems, SolarPACES 2022, AlbuquerqueAlbuquerque, USA, 27 Sep 2022 - 30 Sep 2022
1, 10 p. (2023) [10.52825/solarpaces.v1i.642]
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Accuracy assessment of land-use-land-cover maps: the semantic gap between in situ and satellite data
Image and Signal Processing for Remote Sensing XXIX, AmsterdamAmsterdam, Netherlands, 3 Sep 2023 - 6 Sep 2023
SPIE 14 pp. (2023) [10.1117/12.2679433]
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Adiabatic Quantum Kitchen Sinks with Parallel Annealing for Remote Sensing Regression Problems
IEEE International Geoscience and Remote Sensing Symposium (IGARSS), PasadenaPasadena, CA, 16 Jul 2023 - 21 Jul 2023
IEEE 784-787 (2023) [10.1109/IGARSS52108.2023.10281523]
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Journal Article
Generating Views Using Atmospheric Correction for Contrastive Self-Supervised Learning of Multispectral Images
IEEE geoscience and remote sensing letters 20(2502305), 1 - 5 (2023) [10.1109/LGRS.2023.3274493]
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Multi-Modal Self-Supervised Learning for Boosting Crop Classification Using Sentinel2 and Planetscope
IGARSS 2023 - 2023 IEEE International Geoscience and Remote Sensing Symposium
IGARSS 2023 - 2023 IEEE International Geoscience and Remote Sensing Symposium, PasadenaPasadena, CA, 16 Jul 2023 - 21 Jul 2023
IEEE 2223 - 2226 (2023) [10.1109/IGARSS52108.2023.10282665]
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Book/Proceedings
Orbital Physics in Correlated Matter
Autumn School on Correlated Electrons, correl23, JülichJülich, Germany, 18 Sep 2023 - 22 Sep 2023
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Modeling and Simulation 13, (2023) [10.34734/FZJ-2023-03329]
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Benchmark Continuum Limit Results for Spectroscopy with Stabilized Wilson Fermions
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) - Sissa Medialab Trieste, Italy, 2023. - ISBN - doi:10.22323/1.430.0074
The 39th International Symposium on Lattice Field Theory, BonnBonn, Germany, 8 Aug 2022 - 13 Aug 2022
Sissa Medialab Trieste, Italy 074 pp. (2023) [10.22323/1.430.0074]
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Journal Article
Providing AI expertise as an infrastructure in academia
Patterns 4(8), 100819 (2023) [10.1016/j.patter.2023.100819]
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Diagnostic Expert Advisor: A platform for developing machine learning models on medical time-series data
SoftwareX 23, 101517 (2023) [10.1016/j.softx.2023.101517]
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COMPESCE: A Co-design Approach for Memory Subsystem Performance Analysis in HPC Many-Cores
Architecture of Computing Systems - 36th International Conference
Architecture of Computing Systems - 36th International Conference, ARCS2023, AthensAthens, Greece, 13 Jun 2023 - 15 Jun 2023
Cham : Springer Nature Switzerland, Lecture Notes in Computer Science 13949, 105-119 (2023) [10.1007/978-3-031-42785-5_8]
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Journal Article
Sensitivity of mountain wave drag estimates on separation methods and proposed improvements
Journal of the atmospheric sciences 80(7), 1661–1680 (2023) [10.1175/JAS-D-22-0151.1]
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Enabling Hyperparameter-Tuning of AI Models for Healthcare using the CoE RAISE Unique AI Framework for HPC
2023 46th MIPRO ICT and Electronics Convention (MIPRO)
46th MIPRO ICT and Electronics Convention, MIPRO 2023, OpatijaOpatija, Croatia, 22 May 2023 - 26 May 2023
IEEE 435-440 (2023) [10.23919/MIPRO57284.2023.10159755]
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From Theory to Practice: Applying Neural Networks to Simulate Real Systems with Sign Problems
The 40th International Symposium on Lattice Field Theory, LATTICE2023, Batavia, IllinoisBatavia, Illinois, USA, 31 Jul 2023 - 4 Aug 2023
Proceedings of Science / International School for Advanced Studies 453, (2023) [10.34734/FZJ-2023-05418]
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Moments of Parton Distributions Functions from Lattice QCD at the Physical Point
DIS2023: XXX International Workshop on Deep-Inelastic Scattering and Related Subjects, DIS2023, Michigan State UniversityMichigan State University, USA, 27 Mar 2023 - 31 Mar 2023
7 pp. (2023) [10.34734/FZJ-2023-05487]
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Journal Article
Quasi-particle functional renormalisation group calculations in the two-dimensional t-t'-Hubbard model
SciPost physics 15(5), 192 (2023) [10.21468/SciPostPhys.15.5.192]
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Journal Article
Deep learning models for generation of precipitation maps based on numerical weather prediction
Geoscientific model development 16(5), 1467 - 1480 (2023) [10.5194/gmd-16-1467-2023]
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Journal Article
Multiscale Modeling of Spheroid Tumors: Effect of Nutrient Availability on Tumor Evolution
The journal of physical chemistry <Washington, DC> / B 127(16), 3607–3615 (2023) [10.1021/acs.jpcb.2c08114]
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DISCONA: Distributed Sample Compression for Nearest Neighbor Algorithm
Applied intelligence 53(7), 14 (2023) [10.1007/s10489-023-04482-y]
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Renormalized charge and dielectric effects in colloidal interactions: a numerical solution of the nonlinear Poisson–Boltzmann equation for unknown boundary conditions
The European physical journal / E 46(9), 80 (2023) [10.1140/epje/s10189-023-00334-2]
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Benchmarking a portable lattice quantum chromodynamics kernel written in Kokkos and MPI
Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis - ACM New York, NY, USA, 2023. - ISBN 9798400707858 - doi:10.1145/3624062.3624179
SC-W 2023: Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis, Denver CO USADenver CO USA, USA, 12 Nov 2023 - 17 Nov 2023
ACM New York, NY, USA 1027–1037 (2023) [10.1145/3624062.3624179]
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Contribution to a conference proceedings
Enhancing Training Set Through Multi-Temporal Attention Analysis in Transformers for Multi-Year Land Cover Mapping
IEEE International Geoscience and Remote Sensing Symposium (IGARSS), PasadenaPasadena, CA, 16 Jul 2023 - 21 Jul 2023
IEEE 5411-5414 (2023) [10.1109/IGARSS52108.2023.10283284]
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Journal Article
Toward the Production of Spatiotemporally Consistent Annual Land Cover Maps Using Sentinel-2 Time Series
IEEE geoscience and remote sensing letters 20, 1 - 5 (2023) [10.1109/LGRS.2023.3329428]
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Book/Dissertation / PhD Thesis
Scalable Deep Learning for Remote Sensing with High Performance Computing
139 p. (2023) [10.34734/FZJ-2024-00272] = Dissertation, University of Iceland, 2023
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Journal Article
Computational simulation of virtual patients reduces dataset bias and improves machine learning-based detection of ARDS from noisy heterogeneous ICU datasets
IEEE open journal of engineering in medicine and biology 5, 611 - 620 (2023) [10.1109/OJEMB.2023.3243190]
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Journal Article
Predictive performance of multi-model ensemble forecasts of COVID-19 across European nations
eLife 12, e81916 (2023) [10.7554/eLife.81916]
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Journal Article
Effects of spatiotemporal correlations in wind data on neural network-based wind predictions
Energy 279, 128068 (2023) [10.1016/j.energy.2023.128068]
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Journal Article
Stochastic resonance in the recovery of signal from agent price expectations
Chaos, solitons & fractals 174, 113718 (2023) [10.1016/j.chaos.2023.113718]
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Review/Book/Journal Article
Pharmakokinetik: Vilobelimab hemmt C5a bei Intensivpatient*innen mit COVID-19
Lim EHT et al. Pharmacokinetic analysis of vilobelimab, anaphylatoxin C5a and antidrug antibodies in PANAMO: a phase 3 study in critically ill, invasively mechanically ventilated COVID-19 patients. Intensive Care Med Exp 2023; 11: DOI: 10.1186/s40635-023-00520-8
Journal Club AINS 12(04), 189 - 191 (2023) [10.1055/a-2183-8269]
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Journal Article
A journey from the hard to the soft state: How do QPOs evolve in the 2021 outburst of GX 339–4?
Monthly notices of the Royal Astronomical Society 522(1), 268 - 274 (2023) [10.1093/mnras/stad969]
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Journal Article/Contribution to a conference proceedings
Nucleon Electromagnetic Form Factors at Large Momentum Transfer from Lattice QCD
The 2022 International Conference on the Structure of Baryons, Baryons 2022, SevilleSeville, Spain, 7 Nov 2022 - 11 Nov 2022
Few-body systems 64(3), 72 (2023) [10.1007/s00601-023-01839-4]
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Journal Article
RNA contact prediction by data efficient deep learning
Communications biology 6(1), 913 (2023) [10.1038/s42003-023-05244-9]
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Massively Parallel Genetic Optimization Through Asynchronous Propagation of Populations
High Performance Computing / Bhatele, Abhinav (Editor) [https://orcid.org/0000-0003-3069-3701] ; Cham : Springer Nature Switzerland, 2023, Chapter 6 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-031-32040-8=978-3-031-32041-5 ; doi:10.1007/978-3-031-32041-5
ISC High Performance 2023, ISC '23, HamburgHamburg, Germany, 21 May 2023 - 25 May 2023
Cham : Springer Nature Switzerland, Lecture Notes in Computer Science 13948, 106 - 124 (2023) [10.1007/978-3-031-32041-5_6]
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An Event Model for Trace-Based Performance Analysis of MPI Partitioned Point-to-Point Communication
Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis
Workshop on Programming and Performance Visualization Tools, ProTools '23, Denver, CODenver, CO, USA, 12 Nov 2023 - 12 Nov 2023
New York, NY, USA : ACM 1357–1367 (2023) [10.1145/3624062.3624205]
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Proceedings
Early Results of Mapping Industrial Applications on Heterogeneous HPC Systems
CF '23: 20th ACM International Conference on Computing Frontiers, BolognaBologna, Italy, 9 May 2023 - 11 May 2023
ACM New York, NY, USA (2023) [10.1145/3587135.3592177]
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End-to-End Process Orchestration of Earth Observation Data Workflows with Apache Airflow on High Performance Computing
IGARSS 2023 - 2023 IEEE International Geoscience and Remote Sensing Symposium : [Proceedings] - IEEE, 2023. - ISBN 979-8-3503-2010-7 - doi:10.1109/IGARSS52108.2023.10283416
IEEE International Geoscience and Remote Sensing Symposium (IGARSS), PasadenaPasadena, CA, 16 Jul 2023 - 21 Jul 2023
IEEE 711-714 (2023) [10.1109/IGARSS52108.2023.10283416]
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Bachelor Thesis
Comparing different formulations to solve the Traveling Salesman Problem on a Quantum Computer
42 pp. (2023) [10.34734/FZJ-2025-01361] = Bachelorarbeit, Rheinisch-Westfälische Technische Hochschule Aachen, 2023
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Journal Article
Secondary Gravity Waves From the Stratospheric Polar Vortex Over ALOMAR Observatory on 12–14 January 2016: Observations and Modeling
JGR / Atmospheres 128(2), e2022JD036985 (2023) [10.1029/2022JD036985]
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Journal Article
TopEnzyme: a framework and database for structural coverage of the functional enzyme space
Bioinformatics 39(3), btad116 (2023) [10.1093/bioinformatics/btad116]
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Contribution to a book
Luftqualität und Klimawandel
Klimawandel in Deutschland
Berlin, Heidelberg : Springer Berlin Heidelberg 157–169 (2023) [10.1007/978-3-662-66696-8_13]
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Contribution to a conference proceedings/Contribution to a book
Dynamics of polymer electrolyte with LiTFSI via Quasi-Elastic Neutron Scattering
European Conference on Neutron Scattering 2023, ECNS 2023, GarchingGarching, Germany, 20 Mar 2023 - 23 Mar 2023
The European physical journal / Web of Conferences 286, 04005 pp. (2023) [10.1051/epjconf/202328604005]
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Analytical Model of Communication Algorithm for Simulations with Range-Limited Interactions
Proceedings of the 13th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - SCITEPRESS - Science and Technology Publications, 2023. - ISBN 978-989-758-668-2 - doi:10.5220/0012085500003546
Simultech 2023, RomeRome, Italy, 12 Jul 2023 - 14 Jul 2023
SCITEPRESS - Science and Technology Publications 311-317 (2023) [10.5220/0012085500003546]
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Contribution to a conference proceedings/Contribution to a book
Optimizing Communication in Molecular Dynamics Simulations on HPC Clusters
SIMULTECH 2022: Simulation and Modeling Methodologies, Technologies and Applications, LisbonLisbon, Portugal, 14 Jul 2022 - 16 Jul 2022
Cham : Springer International Publishing, Lecture Notes in Networks and Systems 780, 86 - 100 (2023) [10.1007/978-3-031-43824-0_5]
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Journal Article
Large-Scale Simulation of Shor’s Quantum Factoring Algorithm
Mathematics 11(19), 4222 - (2023) [10.3390/math11194222]
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Bachelor Thesis
Interactive Visualization in the Cloud: Browser-based Visualization in JupyterLab with ParaView trame for HPC Use-cases
58p. (2023) [10.34734/FZJ-2023-05356] = Bachelorarbeit, Fachhochschule Aachen, 2023
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Contribution to a conference proceedings/Contribution to a book
Distributed Computing and Storage Infrastructure for PUNCH4NFDI
1st Conference on Research Data Infrastructure (CoRDI) - Connecting Communities, KarlsruheKarlsruhe, Germany, 12 Sep 2023 - 14 Sep 2024
Proceedings of the conference on research data infrastructure 1, 4 pp. (2023) [10.52825/cordi.v1i.261]
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Contribution to a conference proceedings
Advancing the distributed Multi-GPU ChASE library through algorithm optimization and NCCL library
SC-W 2023: Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis, Denver, CODenver, CO, USA, 12 Nov 2023 - 17 Nov 2023
ACM New York, NY, USA 1688–1696 (2023) [10.1145/3624062.3624249]
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Journal Article
The influence of the Asian summer monsoon on volcanic aerosol transport in the UTLS region
npj climate and atmospheric science 6(1), 11 (2023) [10.1038/s41612-023-00339-w]
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Book/Dissertation / PhD Thesis
Gradient-Free Optimization of Artificial and Biological Networks using Learning to Learn
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Schriften des Forschungszentrums Jülich IAS Series 55, 149 pp. (2023) [10.34734/FZJ-2023-03569] = Dissertation, RWTH Aachen University, 2023
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Journal Article
EphrinA5 regulates cell motility by modulating Snhg15/DNA triplex-dependent targeting of DNMT1 to the Ncam1 promoter
Epigenetics & chromatin 16(1), 42 (2023) [10.1186/s13072-023-00516-4]
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Contribution to a book
Storylining Climes1
Storying Multipolar Climes of the Himalaya, Andes and Arctic / Yü, Dan Smyer ; London : Routledge, , ; ISBN: ; doi:10.4324/9781003347026
London : Routledge 306 pp. (2023) [10.4324/9781003347026-12]
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Journal Article
Giant low surface brightness galaxies in TNG100
Monthly notices of the Royal Astronomical Society 523(3), 3991 - 4014 (2023) [10.1093/mnras/stad1655]
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Journal Article
Variability and trends of the tropical tropopause derived from a 1980–2021 multi-reanalysis assessment
Frontiers in Earth Science 11, 1177502 (2023) [10.3389/feart.2023.1177502]
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Journal Article
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET
Journal of chemical information and modeling 63(2), 643 - 654 (2023) [10.1021/acs.jcim.2c01280]
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Journal Article
Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design
Physical chemistry, chemical physics 25(20), 13819 - 13824 (2023) [10.1039/D3CP01388J]
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