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Inst Reports – Überblick über Publikationen der/des JSC für das Berichtsjahr 2023

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Die Publikationen in den Abschnitten A und B sind alle Text-Publikationen, die für die Programmberichte bzw. den Zentrenfortschrittsbericht für das Jahr 2023 gemeldet werden. Diese Liste kann nicht mehr geändert werden. Jülicher Autoren sind fett gedruckt.

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A. ISI/Scopus-referierte Publikationen

Hierzu zählen Publikationen in Journals, die entweder in der Master Journal List „Web of Science Core Collection“ von Clarivate Analytics oder in der „Scopus Source List“ von Elsevier gelistet sind.

Anzahl zählbare Publikationen: 71

TitelAutorenJournal/KonferenzPOFandere Institutezuletzt geändert
Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug designCapelli, Riccardo; Rossetti, Giulia; Nechushtai, Rachel; Carloni, Paolo; Zuo, Ke; Kranjc, AgataPhysical chemistry, chemical physics 5241; 5111 IAS-5, INM-9 31.1.2024
Wigner Distribution Deconvolution Adaptation for Live Ptychography ReconstructionDunin-Borkowski, Rafal E; Bangun, Arya; Baumeister, Paul F; Clausen, Alexander; Weber, DieterMicroscopy and microanalysis 5351; 5111 ER-C-1 31.1.2024
Applying physics-informed enhanced super-resolution generative adversarial networks to turbulent premixed combustion and engine-like flame kernel direct numerical simulation dataPitsch, Heinz; Bode, Mathis; Gauding, Michael; Goeb, Dominik; Falkenstein, TobiasProceedings of the Combustion Institute 5112 30.1.2024
The SPARC water vapour assessment II: biases and drifts of water vapour satellite data records with respect to frost point hygrometer recordsMurtagh, Donal; Weigel, Katja; Damadeo, Robert; Lossow, Stefan; Vömel, Holger; Khosrawi, Farahnaz; Gille, John C.; Hervig, Mark; Hurst, Dale F.; Bertaux, Jean-Loup; Noël, Stefan; von Clarmann, Thomas; Blanot, Laurent; Anderson, John; Nedoluha, Gerald E.; Sugita, Takafumi; Kasai, Yasuko; Raspollini, Piera; Eriksson, Patrick; Walker, Kaley A.; Bramstedt, Klaus; Dinelli, Bianca Maria; Rozanov, Alexei; Read, William G.; Stiller, Gabriele P.; Kiefer, Michael; Burrows, John P.; Azam, Faiza; García-Comas, Maya; Sioris, Christopher E.; Rosenlof, Karen H.Atmospheric measurement techniques 5111 15.1.2024
Lagrangian transport simulations using the extreme convection parameterization: an assessment for the ECMWF reanalysesHoffmann, Lars; Konopka, Paul; Clemens, Jan Heinrich; Vogel, BärbelAtmospheric chemistry and physics 5111; 2112 IEK-7, CASA 11.1.2024
PyDapsys: an open-source library for accessing electrophysiology data recorded with DAPSYSPérez Garriga, Ariadna; Pérez Martín, Aarón; Röhrig, Rainer; Namer, Barbara; Kutafina, Ekaterina; Konradi, Peter; Troglio, AlinaFrontiers in neuroinformatics 5111 11.1.2024
Enhanced simulations of whole-brain dynamics using hybrid resting-state structural connectomesDriscoll, Ira; Zhan, Liang; Leow, Alex; Manos, Thanos; Diaz, Sandra; Fortel, IgorFrontiers in computational neuroscience 5111 10.1.2024
Fragility of gate-error metrics in simulation models of flux-tunable transmon quantum computersLagemann, Hannes; Willsch, D.; Willsch, M.; Jin, F.; De Raedt, Hans; Michielsen, K.Physical review / A 5111 9.1.2024
A Unified Analysis Framework for Iterative Parallel-in-Time AlgorithmsGander, Martin J.; Lunet, Thibaut; Ruprecht, Daniel; Speck, RobertSIAM journal on scientific computing 5112 9.1.2024
CAG-Repeat RNA Hairpin Folding and Recruitment to Nuclear Speckles with a Pivotal Role of ATP as a CosoluteWeis, Karsten; Ebbinghaus, Simon; Hautke, Alexander; Voronin, Arthur; Lelièvre-Büttner, Amandine; Fatti, Edoardo; Riel, Anton; Lindner, Felix; Zhu, Jikang; Idiris, Fathia; Appel, Bettina; Schug, Alexander; Müller, SabineJournal of the American Chemical Society 5111 9.1.2024
Giant low surface brightness galaxies in TNG100Zjupa, Jolanta; Marinacci, Federico; Vogelsberger, Mark; Hernquist, Lars; Zhu, Qirong; Pérez-Montaño, Luis Enrique; Rodriguez-Gomez, Vicente; Cervantes Sodi, BernardoMonthly notices of the Royal Astronomical Society 5112 9.1.2024
Importance of internal variability for climate model assessmentSchmidt, Gavin A.; Trenberth, Kevin E.; Turkington, Thea; Jain, Shipra; Scaife, Adam A.; Shepherd, Theodore G.; Deser, Clara; Dunstone, Nicknpj climate and atmospheric science 2112; 5111 IEK-7 9.1.2024
Portable CPU implementation of Wilson, Brillouin and Susskind fermions in lattice QCDDurr, StephanComputer physics communications 5111 20.12.2023
A Summer School Session on Mastering Geospatial Artificial Intelligence: From Data Production to Artificial Intelligence Foundation Model Development and Downstream Applications [Technical Committees]Jakubik, Johannes; Edwards, Blair; Gurung, Iksha; Corvin, Alex; Heras, Dora Blanco; Asthana, Anish; Freitag, Brian; Ganti, Raghu; Ramachandran, Rahul; Chu, Linsong; Cavallaro, Gabriele; Fraccaro, Paolo; Costa, Carlos; Weldemariam, Kommy; Ramasubramanian, Muthukumaran; Maskey, Manil; Roy, SujitIEEE geoscience and remote sensing magazine 5111 20.12.2023
NoC-based hardware software co-design framework for dataflow thread managementPortero, Antonio; Mazumbar, Somnath; Scionti, Alberto; Zuckernam, StephaneThe journal of supercomputing 5122 IAS 19.12.2023
EphrinA5 regulates cell motility by modulating Snhg15/DNA triplex-dependent targeting of DNMT1 to the Ncam1 promoterMaié, Tiago; Kundu, Tathagata; Rossetti, Giulia; Yildiz, Can Bora; Zimmermann, Olav; Koesling, Jannis; Costa, Ivan G.; Wolff, Philip; Zimmer-Bensch, Geraldine; Gehrmann, Julia; Ravaei, Amin; Kraft, Florian; Jakovcevski, Mira; Pensold, DanielEpigenetics & chromatin 5111; 5241 IAS-5, INM-9 19.12.2023
Spin- 1/2 XXZ chain coupled to two Lindblad baths: Constructing nonequilibrium steady states from equilibrium correlation functionsNandy, Sourav; Gemmer, Jochen; Michielsen, Kristel; De Raedt, Hans; Lenarčič, Zala; Jin, Fengping; Richter, Jonas; Herbrych, Jacek; Steinigeweg, Robin; Heitmann, TjarkPhysical review / B 5111 14.12.2023
Quasi-particle functional renormalisation group calculations in the two-dimensional t-t'-Hubbard modelRohe, DanielSciPost physics 5111 14.12.2023
Nucleon Electromagnetic Form Factors at Large Momentum Transfer from Lattice QCDSyritsyn, Sergey; Engelhardt, Michael; Green, Jeremy; Krieg, Stefan; Negele, John; Pochinsky, AndrewFew-body systems 5111 CASA 13.12.2023
RNA contact prediction by data efficient deep learningKesselheim, Stefan; Götz, Markus; Weiel, Marie; Debus, Charlotte; Coquelin, Daniel; Bazarova, Alina; Basermann, Achim; Taubert, Oskar; Faber, Christian; Knechtges, Philipp; Streit, Achim; Schug, Alexander; von der Lehr, FabriceCommunications biology 5112; 5111 13.12.2023
Toward the Production of Spatiotemporally Consistent Annual Land Cover Maps Using Sentinel-2 Time SeriesSedona, Rocco; Paris, Claudia; Ebert, Jan; Riedel, Morris; Cavallaro, GabrieleIEEE geoscience and remote sensing letters 5111; 5112 13.12.2023
Graph Machine Learning for Improved Imputation of Missing Tropospheric Ozone DataKleinert, Felix; Schultz, Martin G.; Betancourt, Clara; Li, Cathy W. Y.Environmental science & technology 5111 13.12.2023
Large-Scale Simulation of Shor’s Quantum Factoring AlgorithmWillsch, Madita; Jin, Fengping; De Raedt, Hans; Michielsen, Kristel; Willsch, DennisMathematics 5111; 5122 13.12.2023
Generalized maximum entropy methods as limits of the average spectrum methodKoch, Erik; Ghanem, KhaldoonPhysical review / B 5111 13.12.2023
Deep-Learning-Based 3-D Surface Reconstruction—A SurveyGötz, Markus; Cavallaro, Gabriele; Debus, Charlotte; Nießner, Matthias; Benediktsson, Jón Atli; Streit, Achim; Farshian, AnisProceedings of the IEEE 5111 13.12.2023
Manipulating the Spin Orientation of Co Atoms Using Monatomic Cu ChainsBerndt, Richard; Lounis, Samir; Brinker, Sascha; Lichtenstein, Alexander I.; Montero, Ana; Weismann, Alexander; Mozara, Roberto; Ide, Niklas; Noei, Neda; Guimaraes, FilipeNano letters 5211; 5112 PGI-1, IAS-1 13.12.2023
CARRoT: R-package for predictive modelling by means of regression, adjusted for multiple regularisation methodsBazarova, Alina; Raseta, MarkoPLOS ONE 5112 13.12.2023
Veränderungen der Wasserspeicherung in Deutschland seit 2002 aus Beobachtungen der SatellitengravimetrieHartick, Carl; Sharifi , Ehsan; Flechtner, Frank; Kollet, Stefan; Dobslaw, Henryk; Boergens, Eva; Gerdener, Helena; Güntner, Andreas; Kusche, JürgenHydrologie und Wasserbewirtschaftung 5111; 2173 IBG-3 5.12.2023
Effects of Within-Storm Variability on Allochthonous Flash Flooding: A Synthetic StudyKhosh Bin Ghomash, Shahin; Bachmann, Daniel; Caviedes-Voullième, Daniel; Hinz, ChristophWater 2173 IBG-3, CASA 5.12.2023
Enhancing Distributed Neural Network Training Through Node-Based CommunicationsHaut, Juan M.; Moreno-Álvarez, Sergio; Paoletti, Mercedes E.; Cavallaro, GabrieleIEEE transactions on neural networks and learning systems 5111 5.12.2023
Using Regionalized Air Quality Model Performance and Bayesian Maximum Entropy data fusion to map global surface ozone concentrationBecker, Jacob S.; Strode, Sarah A.; Wang, Hantao; Sudo, Kengo; Cooper, Owen; Schröder, Sabine; Josse, Beatrice; Jason West, J.; Keller, Christoph A.; Marécal, Virginie; Lamarque, Jean-François; Liu, Junhua; Tilmes, Simone; Zhang, Lin; Schultz, Martin G.; Deushi, Makoto; Brauer, Michael; Serre, Marc L.; Lin, Meiyun; Zhang, Li; DeLang, Marissa N.; Chang, Kai-Lan; Lu, XiaoElementa 5111 30.11.2023
Diagnostic Expert Advisor: A platform for developing machine learning models on medical time-series dataPolzin, Richard; Fritsch, Sebastian; Sharafutdinov, Konstantin; Marx, Gernot; Schuppert, AndreasSoftwareX 5112 30.11.2023
Variability and trends of the tropical tropopause derived from a 1980–2021 multi-reanalysis assessmentSpang, Reinhold; Zou, Ling; Hoffmann, Lars; Müller, RolfFrontiers in Earth Science 5111; 2112 IEK-7, CASA 6.10.2023
AI-based identification of therapeutic agents targeting GPCRs: introducing ligand type classifiers and systems biologyRossetti, Giulia; Goßen, Jonas; Ribeiro, Rui Pedro; Bier, Dirk; Neumaier, Bernd; Carloni, Paolo; Giorgetti, AlejandroChemical science 5254; 5252 IAS-5, INM-9, INM-5 21.9.2023
Improved representation of volcanic sulfur dioxide depletion in Lagrangian transport simulations: a case study with MPTRAC v2.4Wu, Xue; Liu, Mingzhao; Hoffmann, Lars; Griessbach, Sabine; Cai, Zhongyin; Heng, YiGeoscientific model development 5111 11.9.2023
Combining structural and coevolution information to unveil allosteric sitesJanet, Jon Paul; Gohlke, Holger; Schimpl, Marianne; Käck, Helena; Frolov, Andrey I.; La Sala, Giuseppina; Tyrchan, Christian; Böhm, Kerstin; Wissler, Lisa; Nevin, Philip; Hogner, Anders; De Vivo, Marco; Pfleger, Christopher; Stubbs, Christopher J.Chemical science 5111; 2171 I:(DE-Juel1)NIC-20090406, IBI-7, IBG-4 25.8.2023
Impact of the injector lateral offset on the dynamics of a lean premixed flame and the thermoacoustic stability of a burnerLintermann, Andreas; Schröder, W.; Herff, S.; Pausch, KonradCombustion and flame 5111; 5112 24.8.2023
Generating Views Using Atmospheric Correction for Contrastive Self-Supervised Learning of Multispectral ImagesPatnala, Ankit; Stadtler, Scarlet; Schultz, Martin G.; Gall, JuergenIEEE geoscience and remote sensing letters 5111 18.7.2023
Predictive performance of multi-model ensemble forecasts of COVID-19 across European nationsSchneider, Johanna; Johnson, Helen; Singh, David E; Gurung, Heidi; Hotz, Thomas; Eclerova, Veronika; Perez Alvarez, Cesar; Villanueva, Inmaculada; Porebski, Przemyslaw; Catala, Marti; Holger, Kirsten; Gruziel-Slomka, Magdalena; Sherratt, Katharine; Meakin, Sophie R; Saksham, Soni; Pabjan, Barbara; Bracher, Johannes; Rodloff, Arne; Gogolewski, Krzysztof; Leithauser, Neele; Dehning, Jonas; Prasse, Bastian; Montero-Manso, Pablo; Ullrich, Alexander; Zibert, Janez; Wolffram, Daniel; Zielinski, Jakub; Priesemann, Viola; Prats, Clara; Ozanski, Tomasz; Suchoski, Bradley; Trnka, Jan; Reina, Borja; Stage, Steven; Bock, Wolfgang; Semeniuk, Marcin; Bartolucci, Francesco; Sandmann, Frank; Farcomeni, Alessio; Li, Michael Lingzhi; Kuhlmann, Alexander; Osthus, Dave; Dimitris, Bertsimas; Lopez, Daniel; Moszyński, Antoni; Maruotti, Antonello; Krymova, Ekaterina; Ardenghi, Giovanni; Michaud, Isaac; Divino, Fabio; Baccam, Prasith; Reich, Nicholas G; Dreger, Filip; Thanou, Dorina; Gambin, Anna; Alvarez, Enric; Mohring, Jan; Obozinski, Guillaume; Radwan, Maciej; Alonso, Sergio; Wang, Lijing; Guzman-Merino, Miguel; Bejar, Benjamin; Krueger, Tyll; Nowosielski, Jedrzej; Fairchild, Geoffrey; Giudici, Paolo; Hurt, Benjamin; Deuschel, Jannik; Kraus, Andrea; Lewis, Bryan; Barbarossa, Maria Vittoria; Kraus, David; Wattanachit, Nutcha; Kisielewski, Jan; Budzinski, Jozef; Niehus, Rene; Grah, Rok; Zimmermann, Tom; Przemyslaw, Biecek; Pribylova, Lenka; Ray, Evan L; Sun, Tao; Scholz, Markus; Filinski, Maciej; Niedzielewski, Karol; Venkatramanan, Srinivasan; Tucek, Vit; Burgard, Jan Pablo; Kheifetz, Yuri; Rodiah, Isti; Zajicek, Milan; Lovison, Gianfranco; Gruson, Hugo; Abbott, Sam; Heyder, Stefan; Wlazlo, Jaroslaw; Srivastava, Ajitesh; Mingione, Marco; Morina, David; Lange, Berit; Bosse, Nikos I; Alaimo Di Loro, Pierfrancesco; Krupa, Bartosz; Mohr, Sebastian; Ziarelli, Giovanni; Szczurek, Ewa; Rakowski, Franciszek; Funk, Sebastian; Marathe, Madhav; Bodych, Marcin; Castro, Lauren; Gibson, Graham; Sheldon, Daniel; Smid, Martin; Idzikowski, Radoslaw; Adiga, Aniruddha; Meinke, Jan H; Pottier, Loic; Jona Lasinio, Giovanna; Pennoni, Fulvia; Wang, Yijin; Redlarski, Grzegorz; Aznarte, Jose L; Walraven, Robert; Parolini, Nicola; Tarantino, Barbara; Bartczuk, Rafal P; Fuhrmann, JaneLife 5111 18.7.2023
Using heterogeneous GPU nodes with a Cabana-based implementation of MPCDHalver, Rene; Junghans, Christoph; Sutmann, GodehardParallel computing 5111 11.7.2023
Developing an Artificial Intelligence-Based Representation of a Virtual Patient Model for Real-Time Diagnosis of Acute Respiratory Distress SyndromeHardman, Jonathan G.; Schuppert, Andreas; Brynjólfsson, Sigurður; Barakat, Chadi; Busch, Josefine; Riedel, Morris; Fritsch, Sebastian; Saffaran, Sina; Sharafutdinov, Konstantin; Bates, Declan G.Diagnostics 5112 3.7.2023
Unbound stars hold the key to young star cluster historyGovind, Amith; Arunima, Arunima; Pfalzner, SusanneAstronomy and astrophysics 5111 3.7.2023
Einstein–Podolsky–Rosen–Bohm experiments: A discrete data driven approachJin, Fengping; De Raedt, Hans; Katsnelson, Mikhail I.; Jattana, Manpreet S.; Mehta, Vrinda; Willsch, Madita; Willsch, Dennis; Michielsen, KristelAnnals of physics 5111 3.7.2023
Sensitivity of mountain wave drag estimates on separation methods and proposed improvementsHolt, Laura; Sato, Kaoru; Geldenhuys, Markus; Ern, Manfred; Šácha, Petr; Kruse, Christopher G.; Wright, Corwin; Alexander, M. Joan; Bacmeister, Julio T.; Gisinger, Sonja; Preusse, Peter; Procházková, Zuzana; Hoffmann, LarsJournal of the atmospheric sciences 2112; 5111 IEK-7 27.6.2023
Temporal Structures in Electron Spectra and Charge Sign Effects in Galactic Cosmic RaysZhang, F.; Faldi, F.; Burger, J.; Kounine, A.; Bartoloni, A.; Palermo, M.; Heber, B.; Bollweg, K.; Valencia-Otero, M.; Burmeister, S.; Kirn, Th.; Li, Z. H.; Song, J. W.; Koutsenko, V.; Xu, W.; LaVecchia, G.; Della Torre, S.; Dass, A.; Qin, X.; Gong, J.; Urban, T.; Lin, C. H.; Tacconi, M.; Grabski, V.; Contin, A.; Luo, J. Z.; Liang, M. J.; Poluianov, S.; Weng, Z. L.; Hsieh, T. H.; Casaus, J.; Tang, Z. C.; Ting, S. M.; Berdugo, J.; Eline, A.; Yang, Y.; Wu, H.; Yu, Z. Q.; Duranti, M.; Tang, X. W.; Fisher, P.; Dadzie, K.; Di Falco, S.; Khiali, B.; Rancoita, P. G.; Zichichi, A.; Coignet, G.; Cheng, L.; Negrete, J.; Tomassetti, N.; Burger, W. J.; Chang, Y. H.; Corti, C.; Jang, W. Y.; Wang, Yu; Krasnopevtsev, D.; Orcinha, M.; Conde, A. Reina; Kulemzin, A.; Zhang, F. Z.; Li, J. Q.; Laurenti, G.; Díaz, C.; Goy, C.; Xiong, R. Q.; Li, M.; Rapin, D.; Paniccia, M.; Li, Q.; Maurin, D.; Arruda, L.; Behlmann, M.; Di Felice, V.; Nozzoli, F.; Graziani, M.; Haino, S.; Wang, Q. L.; Li, H. L.; Vecchi, M.; Wang, L.; Boschini, M. J.; Pensotti, S.; Vialle, J. P.; Choutko, V.; Gast, H.; Aguilar, M.; Nikonov, N.; Vagelli, V.; Hu, J. Y.; Qu, Z. Y.; Marín, J.; Gervasi, M.; Zhang, Z.; Li, Q. Y.; Yi, H.; Lee, S. C.; Cui, Z.; Sagdeev, R.; Fiandrini, E.; Zannoni, M.; Valente, E.; Siedenburg, T.; Attig, N.; Wei, J.; Hashmani, R. K.; Jia, Yi; Torsti, J.; Light, C.; Robyn, E.; Lee, H. T.; Ting, Samuel C. C.; Martin, T.; Egorov, A.; Yelland, A.; Oliva, A.; Borgia, B.; Quadrani, L.; La Vacca, G.; Velasco, M.; Wang, C. X.; Demirköz, M. B.; Laudi, E.; Molero, M.; Bueno, E. F.; Rozza, D.; Seo, E. S.; Vainio, R.; Giovacchini, F.; Valtonen, E.; Mott, P.; Yashin, I. I.; Bertucci, B.; Feng, J.; Chung, C. H.; Mikhailov, V. V.; Battiston, R.; von Doetinchem, P.; Liu, J. H.; Usoskin, I.; Zhang, C.; Zheng, C.; Kuhlman, A.; Wang, X.; Donnini, F.; Guracho, A. N.; Clark, C.; Pohl, M.; Kim, G. N.; Zheng, Z. M.; Yan, Q.; Belyaev, N.; He, Z. H.; Capell, M.; Bagwell, C.; Menchaca-Rocha, A.; Zhang, J. H.; Chou, H. Y.; Dimiccoli, F.; Han, K. C.; Ambrosi, G.; Mañá, C.; Sun, Z. T.; Wang, N. H.; Chen, H. S.; Liang, J.; Machate, F.; Luebelsmeyer, K.; Schael, S.; Derome, L.; Delgado, C.; Palmonari, F.; Yu, Y. M.; Zhao, F.; Wang, S.; Lu, Y. S.; Luo, Xi; Gargiulo, C.; Medvedeva, T.; Barao, F.; Sun, Q.; Li, S. L.; Chouridou, S.; Grandi, D.; Formato, V.; Chen, Y.; Cavasonza, L. Ali; Vázquez Acosta, M.; Marquardt, J.; Bolster, J.; Rozhkov, A.; Freeman, C.; Cai, X. D.; von Dratzig, A. Schultz; Pauluzzi, M.; Martínez, G.; Masi, N.; Li, S.; Barrin, L.; Chen, G. M.; Shan, B. S.; Zuccon, P.; Li, J. H.; Gómez-Coral, D. M.; Incagli, M.; Castellini, G.; Kounina, O.; García-López, R. J.; Mussolin, L.; Lu, S. Q.; Wang, L. Q.; Jinchi, H.; Bindi, V.; Ocampo-Peleteiro, J.; Meng, Q.; Bourquin, M.; Gámez, C.; Sonnabend, R.; Cervelli, F.; Consolandi, C.; Zhuang, H. L.; Dong, F.; Başeğmez-du Pree, S.; Zhukov, V.; Karagöz, G.; Rosier-Lees, S.; Pashnin, A.; Strigari, L.; Tian, J.; Song, X. J.; Lippert, T.; Lazzizzera, I.; Su, T.; Plyaskin, V.; Chen, G. R.; Schwering, G.; Wang, Z. M.Physical review letters 5121 22.6.2023
A journey from the hard to the soft state: How do QPOs evolve in the 2021 outburst of GX 339–4?Stiele, H.; Kong, A. K. H.Monthly notices of the Royal Astronomical Society 5111 21.6.2023
Development of a scoring function for comparing simulated and experimental tumor spheroidsHerold, Julian; Behle, Eric; Rosenbauer, Jakob; Ferruzzi, Jacopo; Schug, AlexanderPLoS Computational Biology 5111 I:(DE-Juel1)NIC-20090406 20.6.2023
Observations of 4.26 μm CO2 Auroral Emissions From AIRS Nadir Sounder MeasurementsHunt, Linda; Bossert, Katrina; Hoffmann, Lars; Mlynczak, MartinGeophysical research letters 5111 19.6.2023
Large scale performance analysis of distributed deep learning frameworks for convolutional neural networksAach, Marcel; Inanc, Eray; Sarma, Rakesh; Riedel, Morris; Lintermann, AndreasJournal of Big Data 5111; 5112 19.6.2023
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 1.0Elbern, Hendrik; Lu, Yen-Sen; Good, Garrett H.Geoscientific model development 5111; 2113 IEK-8 4.5.2023
Multiscale Modeling of Spheroid Tumors: Effect of Nutrient Availability on Tumor EvolutionRosenbauer, Jakob; Berghoff, Marco; Glazier, James A.; Schug, AlexanderThe journal of physical chemistry <Washington, DC> / B 5111 3.5.2023
Resolution of Maximum Entropy Method-Derived Posterior Conformational Ensembles of a Flexible System Probed by FRET and Molecular Dynamics SimulationsSchepers, Bastian; Dittrich, Jonas; Kubiak, Jakub; Dollinger, Peter; Kovacic, Filip; Peulen, Thomas-Otavio; Gohlke, Holger; Dimura, Mykola; Verma, Neha; Jaeger, Karl-Erich; Seidel, Claus A. M.; Popara, Milana; Schmitz, BirteJournal of chemical theory and computation 2171; 5111 IBG-4, I:(DE-Juel1)NIC-20090406, IBG-1, IMET 3.5.2023
SPEADI: Accelerated Analysis of IDP-Ion Interactions from MD-TrajectoriesRossetti, Giulia; de Bruyn, Emile; Dorn, Anton; Zimmermann, OlavBiology 5111 IAS-5, INM-9 20.4.2023
DISCONA: Distributed Sample Compression for Nearest Neighbor AlgorithmRybicki, Jedrzej; Frenklach, Tatiana; Puzis, RamiApplied intelligence 5112 31.3.2023
Novel architecture for gated recurrent unit autoencoder trained on time series from electronic health records enables detection of ICU patient subgroupsSchuppert, Andreas; Merkelbach, Kilian; Schaper, Steffen; Diedrich, Christian; Fritsch, Sebastian JohannesScientific reports 5112 31.3.2023
TopEnzyme: a framework and database for structural coverage of the functional enzyme spacevan der Weg, Karel J; Gohlke, HolgerBioinformatics 5111; 2171 IBG-4, I:(DE-Juel1)NIC-20090406 29.3.2023
Orbital magnetoelectric effect in nanoribbons of transition metal dichalcogenidesCosta, Marcio; Rappoport, Tatiana G.; Muniz, R. B.; Cysne, Tarik P.; Guimarães, Filipe S. M.; Canonico, Luis M.Physical review / B 5112 13.3.2023
Enzyme adaptation to habitat thermal legacy shapes the thermal plasticity of marine microbiomesFerrer, Manuel; Pfleger, Christopher; Nutschel, Christina Gohlke neé; Matesanz, Ruth; Sanchez-Carrillo, Sergio; Fusi, Marco; Mapelli, Francesca; Bargiela, Rafael; Almendral, David; Gohlke, Holger; Marasco, Ramona; Golyshin, Peter N.; Daffonchio, Daniele; Dittrich, Jonas; Coscolín, Cristina; Barozzi, Alan; Chernikova, Tatyana N.Nature Communications 5111; 2171 IBG-4, I:(DE-Juel1)NIC-20090406 13.3.2023
Improved Variational Quantum Eigensolver Via Quasidynamical EvolutionJattana, Manpreet Singh; Jin, Fengping; De Raedt, Hans; Michielsen, KristelPhysical review applied 5111 8.3.2023
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 alGhosh, Subrata; Villanacci, Vincenzo; Gui, Xianyong; Iacucci, Marietta; Parigi, Tommaso Lorenzo; Bazarova, AlinaGut 5112 8.3.2023
Connecting Tikhonov regularization to the maximum entropy method for the analytic continuation of quantum Monte Carlo dataGhanem, Khaldoon; Koch, ErikPhysical review / B 5111 23.2.2023
Loading and Co-Solvent-Triggered Release of Okanin, a C4 Plant Key Enzyme Inhibitor, into/from Functional MicrogelsKolodzy, Fabian; Töpel, Alexander; Hofmann, Alexander; Groth, Georg; Pich, Andrij; Gohlke, Holger; Dittrich, JonasThe chemical engineering journal 5111; 2171 IBG-4, I:(DE-Juel1)NIC-20090406 22.2.2023
Concentric Traveling Ionospheric Disturbances (CTIDs) Triggered by the 2022 Tonga Volcanic EruptionHoffmann, Lars; Liu, Lei; Morton, Y. Jade; Cheng, Pin-Hsuan; Amores, Angel; Wright, Corwin J.JGR / Space physics 5111 22.2.2023
The influence of the Asian summer monsoon on volcanic aerosol transport in the UTLS regionChen, Bing; Wang, Xin; Hoffmann, Lars; Griessbach, Sabine; Tian, Yufang; Wang, Yinan; Wu, Xue; Qiao, Qinpj climate and atmospheric science 5111 22.2.2023
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEETRossetti, Giulia; Nechushtai, Rachel; Carloni, Paolo; Zuo, Ke; Capelli, RiccardoJournal of chemical information and modeling 5241; 5111 IAS-5, INM-9 21.2.2023
Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Aβ(1–42) Amyloid FibrilsGardon, Luis; Neudecker, Philipp; Frieg, Benedikt; Gremer, Lothar; Freiburg, Patrick; Kupreichyk, Tatsiana; Gohlke, Holger; Heise, Henrike; Willbold, Dieter; Becker, NinaJournal of the American Chemical Society 5111; 2171; 352; 5244 IBG-4, I:(DE-Juel1)NIC-20090406, IBI-7 21.2.2023
A novel binding site in the nicotinic acetylcholine receptor for MB327 can explain its allosteric modulation relevant for organophosphorus-poisoning treatmentHöfner, Georg; Niessen, Karin V.; Worek, Franz; Kaiser, Jesko; Thiermann, Horst; Gohlke, Holger; Gertzen, Christoph G. W.; Bernauer, Tamara; Seeger, Thomas; Paintner, Franz F.; Wanner, Klaus T.Toxicology letters 5111; 5241 I:(DE-Juel1)NIC-20090406, IBI-7, IBG-4 1.2.2023
Secondary Gravity Waves From the Stratospheric Polar Vortex Over ALOMAR Observatory on 12–14 January 2016: Observations and ModelingVadas, Sharon L.; Becker, Erich; Bossert, Katrina; Baumgarten, Gerd; Hoffmann, Lars; Harvey, V. LynnJGR / Atmospheres 5111 27.1.2023
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 SupportAach, Marcel; Schuppert, Andreas; Brynjólfsson, Sigurður; Fritsch, Sebastian; Riedel, Morris; Barakat, ChadiDiagnostics 5112 25.1.2023
Cumulative Millisecond-Long Sampling for a Comprehensive Energetic Evaluation of Aqueous Ionic Liquid Effects on Amino Acid InteractionsEl Harrar, Till; Gohlke, HolgerJournal of chemical information and modeling 5111; 2171 IBG-4, I:(DE-Juel1)NIC-20090406, IBI-7 10.1.2023
EESSI: A cross‐platform ready‐to‐use optimised scientific software stackDröge, Bob; Holanda Rusu, Victor; Hoste, Kenneth; Leeuwen, Caspar; O'Cais, Alan; Röblitz, ThomasSoftware <Chichester> 5112 16.12.2022

B. Andere referierte Publikationen

Hierzu zählen Publikationen in Journals, die nicht unter (A) fallen. Die Vergabe einer DOI ist zwingende Voraussetzung. Sonderfall Erde und Umwelt: Hier zählen einschließlich Bücher und Buchkapitel.

Anzahl zählbare Publikationen: 33

TitelAutorenJournal/KonferenzPOFandere Institutezuletzt geändert
A Shim Layer for Transparently Adding Meta Data to MPI HandlesMarc-André Hermanns; Michael Knobloch Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Towards cellular digital twins of in vivo tumorsEric Behle; Alexander SchugBiophysical journal Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Lattice calculation of the R-ratio smeared with Gaussian kernelsCarsten UrbachProceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Disconnected contribution to the LO HVP term of muon g-2 from ETMCCarsten UrbachProceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Nucleon transverse quark spin densitiesCarsten UrbachProceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Digitizing SU(2) gauge fields and what to look out for when doing soCarsten UrbachProceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Lattice calculation of the short and intermediate time-distance hadronic vacuum polarization contributions to the muon magnetic moment using twisted-mass fermionsCarsten UrbachPhysical review. D/Physical review. D. Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Leveraging data-efficient RNA contact prediction toward reliable RNA structure predictionAlexander SchugBiophysical journal Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Point cloud transformers for parameter inference of large-scale tissue simulationsAlexander Schug; Eric BehleBiophysical journal Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Dynamic collagen matrix model for tissue simulations on distributed memory systemsEric Behle; Alexander SchugBiophysical journal Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Contact maps in RNA structure prediction: Much more than pure simulation acceleratorsAlexander SchugBiophysical journal Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Simulating tumor-induced angiogenesis in macroscopic systemsEric Behle; Alexander SchugBiophysical journal Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Development of a machine learning model for prediction of the duration of unassisted spontaneous breathing in patients during prolonged weaning from mechanical ventilationSebastian FritschJournal of critical care Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Adaptive multi-tier intelligent data manager for ExascaleMorris Riedel Keine POF gefunden; wurde nicht gezählt! 17.4.2024
Effects of spatiotemporal correlations in wind data on neural network-based wind predictionsMario RüttgersEnergy (Oxford) Keine POF gefunden; wurde nicht gezählt! 15.4.2024
Scaling Computational Fluid Dynamics: In Situ Visualization of NekRS using SENSEIJens Henrik Göbbert; Jonathan Windgassen Keine POF gefunden; wurde nicht gezählt! 13.4.2024
11th EGU Galileo Conference: Solid Earth and Geohazards in the Exascale Era Consensual DocumentBhihe, Cedric; de la Puente, Josep; Garg, Deepak; Räss, Ludovic; Monterrubio, Marisol; Kaus, Boris; Srivastava, Nishtha; Reis, Claudia; Caviedes Voullieme, Daniel; Gibbons, Steven J.; Folch, Arnau; Scaini, Chiara; Zwinger, Thomas; CSIC, Digital.; Vilarrasa, Víctor; Esposti Ongaro, Tomaso11th EGU Galileo Conference 5111; 5121; 2131; 2153; 2152; 2173 IBG-3, CASA 30.1.2024
AI Super-Resolution-Based Subfilter Modeling for Finite-Rate-Chemistry Flows: A Jet Flow Case StudyBode, MathisSAE Technical Paper 5112 30.1.2024
Enhancing Training Set Through Multi-Temporal Attention Analysis in Transformers for Multi-Year Land Cover MappingSedona, Rocco; Ebert, Jan; Paris, Claudia; Riedel, Morris; Cavallaro, GabrieleIEEE International Geoscience and Remote Sensing Symposium (IGARSS) 5111 11.1.2024
An Event Model for Trace-Based Performance Analysis of MPI Partitioned Point-to-Point CommunicationThärigen, Isabel; Hermanns, Marc-André; Geimer, MarkusWorkshop on Programming and Performance Visualization Tools 5112 11.1.2024
Optimizing Communication in Molecular Dynamics Simulations on HPC ClustersWerner, Matthias; Werner, Theresa; Kabadshow, IvoSIMULTECH 2022: Simulation and Modeling Methodologies, Technologies and Applications 5112 9.1.2024
Foundations of attribution in climate-change scienceLloyd, Elisabeth A; Shepherd, Theodore GEnvironmental research: climate 2112; 5111 IEK-7 9.1.2024
Climate storylines as a way of bridging the gap between information and decision-making in hydrological riskCaviedes-Voullième, Daniel; Shepherd, Theodore G.PLOS climate 2112; 5111 IEK-7 5.1.2024
Analytical Model of Communication Algorithm for Simulations with Range-Limited InteractionsKabadshow, Ivo; Werner:, Matthias; Werner, Theresa; Päßler, ChristofSimultech 2023 5112 2.1.2024
Intra-taste eigenvalue splittings of staggered, Karsten-Wilczek and Borici-Creutz fermions in 2DDurr, Stephan; Ammer, MaximilianThe 39th International Symposium on Lattice Field Theory 5111 2.1.2024
$\mathbf{c_\textbf{SW}}$ at One-Loop Order for Brillouin FermionsAmmer, Maximilian; Durr, StephanLattice 2022 5111 2.1.2024
Benchmark Continuum Limit Results for Spectroscopy with Stabilized Wilson FermionsRago, Antonio; Shindler, Andrea; Walker-Loud, André; Zafeiropoulos, Savvas; Pederiva, Giovanni; Cuteri, Francesca; Francis, Anthony; Fritzsch, PatrikThe 39th International Symposium on Lattice Field Theory 5111 CASA 20.12.2023
Gauge generation and dissemination in OpenLatPederiva, Giovanni; Rago, Antonio; Shindler, Andrea; Walker-Loud, André; Zafeiropoulos, Savvas; Francis, Anthony Sebastian; Cuteri, Francesca; Fritzsch, PatrickThe 39th International Symposium on Lattice Field Theory 5111 CASA 20.12.2023
Advancing the distributed Multi-GPU ChASE library through algorithm optimization and NCCL libraryWu, Xinzhe; Di Napoli, EdoardoSC-W 2023: Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis 5111 CASA 19.12.2023
Dynamics of polymer electrolyte with LiTFSI via Quasi-Elastic Neutron ScatteringOhl, Michael; Sutmann, Godehard; Doi, Yuya; Förster, Stephan; Osti, Naresh C.; Berg, Marcella Cabrera; Halver, Rene; Mamontov, Eugene; Bucher, Nicolas; Allgaier, Jürgen; Wang, Hui; Egami, TakeshiEuropean Conference on Neutron Scattering 2023 5122; 6G4 JCNS-1 19.12.2023
Scalable Flow Simulations with the Lattice Boltzmann MethodRocchi, Ilan; Herten, Andreas; Riha, Lubomir; Vavrik, Radim; Staffelbach, Gabriel; Badwaik, Jayesh; Cuidard, Romain; Ruede, Ulrich; Holzer, Markus; Vysocky, OndrejCF '23: 20th ACM International Conference on Computing Frontiers 5112 16.12.2023
Pharmakokinetik: Vilobelimab hemmt C5a bei Intensivpatient*innen mit COVID-19Simon, Annika; Fritsch, SebastianJournal Club AINS 5112 CASA 16.12.2023
Many Cores, Many Models: GPU Programming Model vs. Vendor Compatibility OverviewHerten, AndreasSC-W 2023: Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis 5122; 5112 15.12.2023
Challenges and Opportunities in the Adoption of High Performance Computing for Earth Observation in the Exascale EraCavallaro, Gabriele; Sedona, Rocco; Riedel, Morris; Lintermann, Andreas; Michielsen, KristelConference on Big Data from Space 2023 5111 13.12.2023
End-to-End Process Orchestration of Earth Observation Data Workflows with Apache Airflow on High Performance ComputingSedona, Rocco; Mozaffari, Amirpasha; Kreshpa, Enxhi; Paris, Claudia; Riedel, Morris; Schultz, Martin G.; Cavallaro, Gabriele; Tian, LiangIEEE International Geoscience and Remote Sensing Symposium (IGARSS) 5111; 5112 13.12.2023
Sepsis: Praktikabler Maßnahmenkatalog mithilfe künstlicher IntelligenzFritsch, Sebastian; Ruchalla, ElkeJournal Club AINS 5112 13.12.2023
Benchmarking a portable lattice quantum chromodynamics kernel written in Kokkos and MPISchlepphorst, Simon; Krieg, StefanSC-W 2023: Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis 5111 CASA 13.12.2023
Accuracy assessment of land-use-land-cover maps: the semantic gap between in situ and satellite datavan der Velde, Marijn; Sharma, Surbhi; Sedona, Rocco; Cavallaro, Gabriele; Paris, Claudia; Martinez-Sanchez, LauraImage and Signal Processing for Remote Sensing XXIX 5111 13.12.2023
Adiabatic Quantum Kitchen Sinks with Parallel Annealing for Remote Sensing Regression ProblemsRiedel, Morris; Michielsen, Kristel; Cavallaro, Gabriele; Pasetto, EdoardoIEEE International Geoscience and Remote Sensing Symposium (IGARSS) 5111; 5112 13.12.2023
Automatisiertes Frühwarnsystem senkt Sterblichkeit bei KlinikpatientenFritsch, Sebastian; Ruchalla, ElkeJournal Club AINS 5112 13.12.2023
O3ResNet: A Deep Learning–Based Forecast System to Predict Local Ground-Level Daily Maximum 8-Hour Average Ozone in Rural and Suburban EnvironmentsKleinert, Felix; Schultz, Martin G.; Leufen, Lukas HubertArtificial Intelligence for the Earth Systems 5111 8.12.2023
The Parallel Full Approximation Scheme in Space and Time for a Parabolic Finite Element ProblemZou, Jun; Sander, Oliver; Brenner, Susanne C.; Chung, Eric; Kwok, Felix; Schöbel, Ruth; Klawonn, Axel; Xu, Jinchao; Speck, Robert26th International Domain Decomposition Conference 5112 30.11.2023
Short Paper: Accelerating Hyperparameter Optimization Algorithms with Mixed PrecisionAach, Marcel; Sarma, Rakesh; Inanc, Eray; Riedel, Morris; Lintermann, AndreasSC-W 2023: Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis 5111 21.11.2023
A multi-perspective approach for exploring the scenario space of future power systemsBuschmann, Jan; von Krbek, Kai; Böhme, Aileen; Frey, Ulrich; Cao, Karl-Kien; Breuer, Thomas; Wetzel, Manuel; Sasanpour, ShimaInternational Conference on Operations Research 5112 10.10.2023
Enabling Hyperparameter-Tuning of AI Models for Healthcare using the CoE RAISE Unique AI Framework for HPCBrynjólfsson, S.; Book, M.; Fritsch, S.; Lintermann, A.; Schuppert, A.; Neukirchen, H.; Aach, M.; Busch, J.; Riedel, Morris; Barakat, C.46th MIPRO ICT and Electronics Convention 5111; 5112 17.7.2023
Mitigating the Hubbard Sign Problem. A Novel Application of Machine LearningRodekamp, Marcel; Gäntgen, ChristophProceedings of Science / International School for Advanced Studies 5111 IAS-4 3.7.2023
AI Super-Resolution Subfilter Modeling for Multi-Physics FlowsBode, MathisPASC '23: Platform for Advanced Scientific Computing Conference 5111 3.7.2023
Practice and Experience using High Performance Computing and Quantum Computing to Speed-up Data Science Methods in Scientific ApplicationsRiedel, M.; Book, M.; Neukirchen, H.; Cavallaro, G.; Lintermann, A.45th Jubilee International Convention on Information, Communication and Electronic Technology (MIPRO) 5111 11.5.2023
A Comprehensive I/O Knowledge Cycle for Modular and Automated HPC Workload AnalysisNeuwirth, Sarah; Lippert, Thomas; Zhu, Zhaobin2022 IEEE International Conference on Cluster Computing (CLUSTER) 5121 6.4.2023

C. Datenpublikationen

Hierzu zählen Publikationen, die in Jülich DATA verzeichnet sind.

Fehlende POF-Zuordnungen muss man in Jülich DATA nachtragen. Bitte beachten Sie, dass diese Nachtragungen dann aber erst für das folgende Berichtsjahr gewertet werden, weil die Deadline für 2023 bereits verstrichen ist.

Anzahl zählbare Publikationen: 3

TitelAutorenPOFandere Institutezuletzt geändert
Spectroscopy Data and Model Parameters for: Observation of Josephson Harmonics in Tunnel JunctionsDennis Rieger; Dennis Willsch 5111 26.4.2024
Replication Data for: Advancing the ChASE library through algorithm optimization and multi-level MPI parallelismEdoardo Di Napoli 5111 26.4.2024
AIRS/Aqua Observations of non-LTE EmissionsLars Hoffmann 5111 26.4.2024
Data of publication "Spin-1/2 XXZ chain coupled to two Lindblad baths: Constructing nonequilibrium steady states from equilibrium correlation functions"Fengping Jin; Kristel Michielsen Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Data of publication "Spin-1/2 XXZ chain coupled to two Lindblad baths: Constructing nonequilibrium steady states from equilibrium correlation functions"Kristel Michielsen; Fengping Jin Keine POF gefunden; wurde nicht gezählt! 26.4.2024

D. Software-Publikationen

Hierzu zählen Publikationen, die in Jülich DATA verzeichnet sind.

Fehlende POF-Zuordnungen muss man in Jülich DATA nachtragen. Bitte beachten Sie, dass diese Nachtragungen dann aber erst für das folgende Berichtsjahr gewertet werden, weil die Deadline für 2023 bereits verstrichen ist.

Anzahl zählbare Publikationen: 0

TitelAutorenPOFandere Institutezuletzt geändert
Stefan Kesselheim Keine POF gefunden; wurde nicht gezählt! 26.4.2024
Stefan Kesselheim Keine POF gefunden; wurde nicht gezählt! 26.4.2024