Institute for Advanced Simulation (IAS)

Jülich Supercomputing Centre (JSC)

Publications 2022

Contribution to a conference proceedings Aach, M. (Corresponding author)FZJ* ; Sedona, R.FZJ* ; Lintermann, A.FZJ* ; Cavallaro, G.FZJ* ; Neukirchen, H. ; Riedel, M.FZJ*
Accelerating Hyperparameter Tuning of a Deep Learning Model for Remote Sensing Image Classification
20222022 IEEE International Geoscience and Remote Sensing Symposium, IGARSS 2022, Kuala LumpurKuala Lumpur, Malaysia, 17 Jul 2022 - 22 Jul 20222022-07-172022-07-22 IEEE 263-266 (2022) [10.1109/IGARSS46834.2022.9883257]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Afshari, M. (Corresponding author) ; Morris, S. ; Geulig, L. D. ; Chitgar, Z. M.FZJ* ; Gibbon, P.FZJ* ; Thirolf, P. G. ; Schreiber, J.
The role of collisional ionization in heavy ion acceleration by high intensity laser pulses
Scientific reports 12(1), 18260 (2022) [10.1038/s41598-022-23148-2]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Aguilar, M. ; Cavasonza, L. A. ; Ambrosi, G. ; et al
Properties of Daily Helium Fluxes
Physical review letters 128(23), 231102 (2022) [10.1103/PhysRevLett.128.231102]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Agullo, E. ; Altenbernd, M. ; Anzt, H. ; Bautista-Gomez, L. ; Benacchio, T. ; Bonaventura, L. ; Bungartz, H.-J. ; Chatterjee, S. ; Ciorba, F. M. ; DeBardeleben, N. ; Drzisga, D. ; Eibl, S. ; Engelmann, C. ; Gansterer, W. N. ; Giraud, L. ; Göddeke, D. ; Heisig, M. ; Jézéquel, F. ; Kohl, N. ; Li, X. S. ; Lion, R. ; Mehl, M. ; Mycek, P. ; Obersteiner, M. ; Quintana-Ortí, E. S. ; Rizzi, F. ; Rüde, U. ; Schulz, M. ; Fung, F. ; Speck, R.FZJ* ; Stals, L. (Corresponding author) ; Teranishi, K. ; Thibault, S. ; Thönnes, D. ; Wagner, A. ; Wohlmuth, B.
Resiliency in numerical algorithm design for extreme scale simulations
The international journal of high performance computing applications 36(2), 251 - 285 (2022) [10.1177/10943420211055188]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Alam, S. R. (Corresponding author) ; Bartolome, J. ; Carpene, M. ; Happonen, K. ; Lafoucriere, J.-C. ; Pleiter, D.FZJ*
Fenix - A Pan-European Federation of Supercomputing and Cloud e-Infrastructure Services
Communications of the ACM 65(4), 46 - 47 (2022) [10.1145/3511802]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Ammer, M. ; Durr, S. (Corresponding author)FZJ*
Stout-smearing, gradient flow and $c_{\text{SW}}$ at one loop order
2022Proceedings of The 38th International Symposium on Lattice Field Theory — PoS(LATTICE2021) - Sissa Medialab Trieste, Italy, 2022. - ISBN - doi:10.22323/1.396.0407
38th International Symposium on Lattice Field Theory, LATTICE2021, MIT, Boston (virtual)MIT, Boston (virtual), USA, 26 Jul 2021 - 30 Jul 20212021-07-262021-07-30 Sissa Medialab Trieste, Italy 396, 7 pages (2022) [10.22323/1.396.0407]2022 Files Fulltext by arXiv.org Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Amunts, K. (Corresponding author)FZJ* ; DeFelipe, J. ; Pennartz, C. ; Destexhe, A. ; Migliore, M. ; Ryvlin, P. ; Furber, S. ; Knoll, A. ; Bitsch, L. ; Bjaalie, J. G. ; Ioannidis, Y. ; Lippert, T.FZJ* ; Sanchez-Vives, M. V. ; Goebel, R. ; Jirsa, V.
Linking brain structure, activity and cognitive function through computation
eNeuro 9(2), ENEURO.0316-21.2022 (2022) [10.1523/ENEURO.0316-21.2022]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Aoki, Y. ; Blum, T. ; Colangelo, G. ; Collins, S. ; Morte, M. D. ; Dimopoulos, P. ; Dürr, S.FZJ* ; Feng, X. ; Fukaya, H. ; Golterman, M. ; Gottlieb, S. ; Gupta, R. ; Hashimoto, S. ; Heller, U. M. ; Herdoiza, G. ; Hernandez, P. ; Horsley, R. ; Jüttner, A. ; Kaneko, T. ; Lunghi, E. ; Meinel, S. ; Monahan, C. ; Nicholson, A. ; Onogi, T. ; Pena, C. ; Petreczky, P. ; Portelli, A. ; Ramos, A. ; Sharpe, S. R. ; Simone, J. N. ; Simula, S. ; Sint, S. ; Sommer, R. ; Tantalo, N. ; Van de Water, R. ; Wenger, U. ; Wittig, H.
FLAG Review 2021
The European physical journal / C 82(10), 869 (2022) [10.1140/epjc/s10052-022-10536-1]2022 Files Fulltext by arXiv.org Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Barakat, C. (Corresponding author)FZJ* ; Fritsch, S.FZJ* ; Sharafutdinov, K.RWTH* ; Ingolfsson, G.Extern* ; Schuppert, A.RWTH* ; Brynjolfsson, S.Extern* ; Riedel, M.FZJ*
Lessons learned on using High-Performance Computing and Data Science Methods towards understanding the Acute Respiratory Distress Syndrome (ARDS)
20222022 45th Jubilee International Convention on Information, Communication and Electronic Technology (MIPRO) : [Proceedings] - IEEE, 2022. - ISBN 978-953-233-103-5 - doi:10.23919/MIPRO55190.2022.9803320
2022 45th Jubilee International Convention on Information, Communication and Electronic Technology (MIPRO), OpatijaOpatija, Croatia, 23 May 2022 - 27 May 20222022-05-232022-05-27 IEEE 368-373 (2022) [10.23919/MIPRO55190.2022.9803320]2022 Files Fulltext BibTeX | EndNote: XML, Text | RIS

Journal Article Bauer, R.FZJ* ; Grooß, J.-U.FZJ* ; Ungermann, J. (Corresponding author)FZJ* ; Bär, M. ; Geldenhuys, M.FZJ* ; Hoffmann, L.FZJ*
The Mission Support System (MSS v7.0.4) and its use in planning for the SouthTRAC aircraft campaign
Geoscientific model development 15(24), 8983 - 8997 (2022) [10.5194/gmd-15-8983-2022]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Baumeister, P. F. (Corresponding author)FZJ* ; Hoffmann, L.FZJ*
Fast infrared radiative transfer calculations using graphics processing units: JURASSIC-GPU v2.0
Geoscientific model development 15(5), 1855 - 1874 (2022) [10.5194/gmd-15-1855-2022]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Bazi, Y. ; Cavallaro, G.FZJ* ; Demir, B. ; Melgani, F. (Corresponding author)
Learning from Data for Remote Sensing Image Analysis
International journal of remote sensing 43(15-16), 5527 - 5533 (2022) [10.1080/01431161.2022.2131481]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Becker, E. (Corresponding author) ; Vadas, S. L. ; Bossert, K. ; Lynn Harvey, V. ; Zülicke, C. ; Hoffmann, L.FZJ*
A high‐resolution whole‐atmosphere model with resolved gravity waves and specified large‐scale dynamics in the troposphere and stratosphere
Journal of geophysical research / D 127(2), e2021JD035018 (2022) [10.1029/2021JD035018]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Becker, M. ; Lehmkuhl, S. ; Kesselheim, S.FZJ* ; Korvink, J. G. (Corresponding author) ; Jouda, M. (Corresponding author)
Acquisitions with random shim values enhance AI-driven NMR shimming
Journal of magnetic resonance 345, 107323 - (2022) [10.1016/j.jmr.2022.107323]2022 Files BibTeX | EndNote: XML, Text | RIS

Journal Article Behle, E. (Corresponding author)FZJ* ; Herold, J. ; Rosenbauer, J.FZJ* ; Schug, A. H.FZJ*
Large-scale simulation of tumor spheroid invasion dynamics
Biophysical journal 121(3), 165a - (2022) [10.1016/j.bpj.2021.11.1907]2022 Files BibTeX | EndNote: XML, Text | RIS

Journal Article Behrendt, A. ; Golchin, P. ; König, F. ; Mulnaes, D. ; Stalke, A. ; Dröge, C. ; Keitel, V. ; Gohlke, H. (Corresponding author)FZJ*
Vasor: Accurate prediction of variant effects for amino acid substitutions in multidrug resistance protein 3
Hepatology communications 6(11), 3098-3111 (2022) [10.1002/hep4.2088]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Bellwied, R. ; Borsanyi, S. ; Fodor, Z. ; Günther, J. N. ; Katz, S. D. ; Parotto, P. ; Pasztor, A. ; Pesznyak, D. (Corresponding author) ; Ratti, C. ; Szabó, K. K.FZJ*
Quantifying corrections to the hadron resonance gas with lattice QCD
2022Proceedings of The 38th International Symposium on Lattice Field Theory — PoS(LATTICE2021) - Sissa Medialab Trieste, Italy, 2022. - ISBN - doi:10.22323/1.396.0186
The 38th International Symposium on Lattice Field Theory, LATTICE2021, Zoom/Gather@Massachusetts Institute of Technology, USA, 26 Jul 2021 - 30 Jul 20212021-07-262021-07-30 Sissa Medialab Trieste, Italy 396, 10 pages (2022) [10.22323/1.396.0186]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Berger, A. ; Knak, T. ; Kiffe-Delf, A.-L. ; Mudrovcic, K. ; Singh, V. ; Njoroge, M. ; Burckhardt, B. B. ; Gopalswamy, M. ; Lungerich, B. ; Ackermann, L. ; Gohlke, H.FZJ* ; Chibale, K. ; Kalscheuer, R. ; Kurz, T. (Corresponding author)
Total Synthesis of the Antimycobacterial Natural Product Chlorflavonin and Analogs via a Late-Stage Ruthenium(II)-Catalyzed ortho-C(sp2)-H-Hydroxylation
Pharmaceuticals 15(8), 984 - (2022) [10.3390/ph15080984]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Betancourt, C.FZJ* ; Stomberg, T. T. ; Edrich, A.-K.RWTH* ; Patnala, A.FZJ* ; Schultz, M. G.FZJ* ; Roscher, R. ; Kowalski, J.RWTH* ; Stadtler, S. (Corresponding author)FZJ*
Global, high-resolution mapping of tropospheric ozone – explainable machine learning and impact of uncertainties
Geoscientific model development 15(11), 4331 - 4354 (2022) [10.5194/gmd-15-4331-2022]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Bhatia, S. (Corresponding author) ; Spanier, L. ; Bickel, D. ; Dienstbier, N. ; Woloschin, V. ; Vogt, M. ; Pols, H. ; Lungerich, B. ; Reiners, J. ; Aghaallaei, N. ; Diedrich, D. ; Frieg, B.FZJ* ; Schliehe-Diecks, J. ; Bopp, B. ; Lang, F. ; Gopalswamy, M.FZJ* ; Loschwitz, J.FZJ* ; Bajohgli, B. ; Skokowa, J. ; Borkhardt, A. ; Hauer, J. ; Hansen, F. K. ; Smits, S. H. J. ; Jose, J. ; Gohlke, H. (Corresponding author)FZJ* ; Kurz, T. (Corresponding author)
Development of a First-in-Class Small-Molecule Inhibitor of the C-Terminal Hsp90 Dimerization
ACS central science 8(5), 636–655 (2022) [10.1021/acscentsci.2c00013]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Bleffert, F.FZJ* ; Granzin, J.FZJ* ; Caliskan, M.FZJ* ; Schott-Verdugo, S. N.FZJ* ; Siebers, M. ; Thiele, B.FZJ* ; Rahme, L. G. ; Felgner, S. ; Dörmann, P. ; Gohlke, H. (Corresponding author)FZJ* ; Batra-Safferling, R. (Corresponding author)FZJ* ; Jaeger, K.-E.FZJ* ; Kovacic, F. (Corresponding author)FZJ*
Structural, mechanistic and physiological insights into phospholipase A-mediated membrane phospholipid degradation in Pseudomonas aeruginosa
eLife 11, e72824 (2022) [10.7554/eLife.72824]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Bode, M. (Corresponding author)FZJ*
Applying Physics-Informed Enhanced Super-Resolution Generative Adversarial Networks to Large-Eddy Simulations of ECN Spray C
2022SAE WCX World Congress Experience, DetroitDetroit, USA, 5 Apr 2022 - 7 Apr 20222022-04-052022-04-07 SAE Technical Paper 1-9 (2022)2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Bode, M. (Corresponding author)FZJ*
Applying Physics-Informed Enhanced Super-Resolution Generative Adversarial Networks to Large-Eddy Simulations of ECN Spray C
SAE international journal of advances and current practices in mobility 4(6), 2211-2219 (2022) [10.4271/2022-01-0503]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Bode, M. (Corresponding author)FZJ* ; Gauding, M. ; Goeb, D. ; Falkenstein, T. ; Pitsch, H.
Applying Physics-Informed Enhanced Super-Resolution Generative Adversarial Networks to Turbulent Premixed Combustion and Engine-like Flame Kernel Direct Numerical Simulation Data
202239th International Symposium on Combustion, VancouverVancouver, Canada, 24 Jul 2022 - 29 Jul 20222022-07-242022-07-29 1-9 (2022)2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Bode, M. (Corresponding author)FZJ*
Full Injector Simulations of ECN Spray C
2022The European Conference on Liquid Atomization and Spray Systems, ILASS, online-onlyonline-only, Israel, 6 Sep 2022 - 8 Sep 20222022-09-062022-09-08 1-5 (2022)2022 Files Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Bode, M. (Corresponding author)FZJ*
Super-Resolution-based Subfilter Modeling for Interfacial Flows
2022The European Conference on Liquid Atomization and Spray Systems, ILASS, online-onlyonline-only, Israel, 6 Sep 2022 - 8 Sep 20222022-09-062022-09-08 1-4 (2022)2022 Files Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Borggräfe, J. ; Victor, J. ; Rosenbach, H. ; Viegas, A. ; Gertzen, C. G. W. ; Wuebben, C. ; Kovacs, H. ; Gopalswamy, M. ; Riesner, D. ; Steger, G. ; Schiemann, O. ; Gohlke, H.FZJ* ; Span, I. ; Etzkorn, M. (Corresponding author)FZJ*
Time-resolved structural analysis of an RNA-cleaving DNA catalyst
Nature <London> 601, 144-149 (2022) [10.1038/s41586-021-04225-4]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Borsanyi, S. ; Fodor, Z. ; Guenther, J. N. ; Hoelbling, C. ; Katz, S. D. ; Lellouch, L. ; Lippert, T.FZJ* ; Miura, K. ; Parato, L. ; Szabo, K. K.FZJ* ; Stokes, F.FZJ* ; Toth, B. C. ; Torok, C.FZJ* ; Varnhorst, L. (Corresponding author)
High precision scale setting on the lattice
2022Proceedings of The 38th International Symposium on Lattice Field Theory — PoS(LATTICE2021) - Sissa Medialab Trieste, Italy, 2022. - ISBN - doi:10.22323/1.396.0371
The 38th International Symposium on Lattice Field Theory, LATTICE2021, Zoom/Gather@Massachusetts Institute of Technology, USA, 26 Jul 2021 - 30 Jul 20212021-07-262021-07-30 Sissa Medialab Trieste, Italy 396, 10 pages (2022) [10.22323/1.396.0371]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Borsányi, S. ; Guenther, J. N. (Corresponding author) ; Kara, R. ; Fodor, Z. ; Parotto, P. ; Pásztor, A. ; Ratti, C. ; Szabo, K.FZJ*
Resummed lattice QCD equation of state at finite baryon density: Strangeness neutrality and beyond
Physical review / D 105(11), 114504 (2022) [10.1103/PhysRevD.105.114504]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Bracher, J. (Corresponding author) ; Wolffram, D. ; Deuschel, J. ; Görgen, K. ; Ketterer, J. L. ; Ullrich, A. ; Abbott, S. ; Barbarossa, M. V. ; Bertsimas, D. ; Bhatia, S. ; Bodych, M. ; Bosse, N. I. ; Burgard, J. P. ; Castro, L. ; Fairchild, G. ; Fiedler, J. ; Fuhrmann, J. ; Funk, S. ; Gambin, A. ; Gogolewski, K. ; Heyder, S. ; Hotz, T. ; Kheifetz, Y. ; Kirsten, H. ; Krueger, T. ; Krymova, E. ; Leithäuser, N. ; Li, M. L. ; Meinke, J. H.FZJ* ; Miasojedow, B. ; Michaud, I. J. ; Mohring, J. ; Nouvellet, P. ; Nowosielski, J. M. ; Ozanski, T. ; Radwan, M. ; Rakowski, F. ; Scholz, M. ; Soni, S. ; Srivastava, A. ; Gneiting, T. ; Schienle, M. (Corresponding author)
National and subnational short-term forecasting of COVID-19 in Germany and Poland during early 2021
Communications medicine 2(1), 136 (2022) [10.1038/s43856-022-00191-8]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Brank, B. (Corresponding author)FZJ* ; Pleiter, D.
Assessing the State of Autovectorization Support based on SVE
20222022 IEEE International Conference on Cluster Computing (CLUSTER), HeidelbergHeidelberg, Germany, 5 Sep 2022 - 8 Sep 20222022-09-052022-09-08 IEEE 556–562 (2022) [10.1109/CLUSTER51413.2022.00073]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Brenner, S. C. (Editor) ; Chung, E. (Editor) ; Klawonn, A. (Editor) ; Kwok, F. (Editor) ; Xu, J. (Editor) ; Zou, J. (Editor) ; Sander, O. ; Schöbel, R. (Corresponding author)FZJ* ; Speck, R.FZJ*
The Parallel Full Approximation Scheme in Space and Time for a Parabolic Finite Element Problem
2022Domain Decomposition Methods in Science and Engineering XXVI / Brenner, Susanne C. (Editor) ; Cham : Springer International Publishing, 2022, Chapter 57 ; ISSN: 1439-7358=2197-7100 ; ISBN: 978-3-030-95024-8=978-3-030-95025-5 ; doi:10.1007/978-3-030-95025-5
26th International Domain Decomposition Conference, DD26, onlineonline, Hong Kong, 7 Dec 2020 - 12 Dec 20202020-12-072020-12-12 Lecture Notes in Computational Science and Engineering 145, 531 - 538 (2022) [10.1007/978-3-030-95025-5_57]2022 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Breuer, T. (Corresponding author)FZJ* ; Cao, K.-K. ; Wetzel, M. ; Frey, U. ; Sasanpour, S. ; Buschman, J. ; Böhme, A. ; Vanaret, C.
Enabling energy systems research on HPC
2022SC Technical Program Archives - Research posters
The International Conference for High Performance Computing, Networking, Storage, and Analysis, SC22, DallasDallas, USA, 13 Nov 2022 - 18 Nov 20222022-11-132022-11-18 SC22 Supercomputing conference 3 pp. (2022)2022 Files Fulltext BibTeX | EndNote: XML, Text | RIS

Journal Article Buratti, F. A. ; Boeffinger, N. ; Garro, H. A. ; Flores, J. S. ; Hita, F. J. ; Gonçalves, P. d. C. ; Copello, F. d. R. ; Lizarraga, L. ; Rossetti, G.FZJ* ; Carloni, P.FZJ* ; Zweckstetter, M. ; Outeiro, T. F. ; Eimer, S. ; Griesinger, C. ; Fernández, C. O. (Corresponding author)
Aromaticity at position 39 in α‐synuclein: A modulator of amyloid fibril assembly and membrane‐bound conformations
Protein science 31(7), e4360 (2022) [10.1002/pro.4360]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Burgeth, B.Extern* ; Kleefeld, A. (Corresponding author)FZJ* ; Zhang, E.Extern* ; Zhang, Y.Extern*
Towards Topological Analysis of Non-symmetric Tensor Fields via Complexification
2022Discrete Geometry and Mathematical Morphology, DGMM 2022, StrasbourgStrasbourg, France, 24 Oct 2022 - 27 Oct 20222022-10-242022-10-27 Cham : Springer International Publishing, Lecture Notes in Computer Science 13493, 48 - 59 (2022) [10.1007/978-3-031-19897-7_5]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Cai, Z. (Corresponding author)FZJ* ; Griessbach, S.FZJ* ; Hoffmann, L.FZJ*
Improved estimation of volcanic SO2 injections from satellite retrievals and Lagrangian transport simulations: the 2019 Raikoke eruption
Atmospheric chemistry and physics 22(10), 6787 - 6809 (2022) [10.5194/acp-22-6787-2022]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Book/Report Carpenter, P. ; Utz, U.-H. ; Narasimhamurthy, S. ; Suarez, E. (Corresponding author)FZJ*
Heterogeneous High Performance Computing
ETP4HPC : Zenodo, ETP4HPC White Papers 18 pp. (2022) [10.5281/ZENODO.6090425]2022 Fulltext BibTeX | EndNote: XML, Text | RIS

Journal Article Cavallaro, G. (Corresponding author)FZJ* ; Heras, D. B. ; Wu, Z. ; Maskey, M. ; Lopez, S. ; Gawron, P. ; Coca, M. ; Datcu, M.
High-Performance and Disruptive Computing in Remote Sensing: HDCRS—A new Working Group of the GRSS Earth Science Informatics Technical Committee [Technical Committees]
IEEE geoscience and remote sensing magazine 10(2), 329 - 345 (2022) [10.1109/MGRS.2022.3145478]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Cavallaro, G. (Corresponding author)FZJ* ; Riedel, M.FZJ* ; Lippert, T.FZJ* ; Michielsen, K.FZJ*
Hybrid Quantum-Classical Workflows in Modular Supercomputing Architectures with the Jülich Unified Infrastructure for Quantum Computing
2022IEEE International Geoscience and Remote Sensing Symposium (IGARSS), Kuala LumpurKuala Lumpur, Malaysia, 17 Jul 2022 - 22 Jul 20222022-07-172022-07-22 IEEE 4149-4152 (2022) [10.1109/IGARSS46834.2022.9883225]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Chien, S. W. D. (First author) ; Podobas, A. ; Svedin, M. ; Tkachuk, A. ; El Sayed Mohamed, S.FZJ* ; Herman, P. ; Umanesan, G. ; Narasimhamurthy, S. ; Markidis, S. (Corresponding author)
NoaSci: A Numerical Object Array Library for I/O of Scientific Applications on Object Storage
20222022 30th Euromicro International Conference on Parallel, Distributed and Network-Based Processing (PDP), ValladolidValladolid, Spain, 9 Mar 2022 - 11 Mar 20222022-03-092022-03-11 IEEE 172-176 (2022) [10.1109/PDP55904.2022.00034]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Clavijo, J. M. (Corresponding author)DESY* ; Glaysher, P. ; Jitsev, J.FZJ* ; Katzy, J. M. (Corresponding author)DESY*
Adversarial domain adaptation to reduce sample bias of a high energy physics event classifier
Machine learning: science and technology 3(1), 015014 (2022) [10.1088/2632-2153/ac3dde]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Colliard-Granero, A.FZJ* ; Batool, M. ; Jankovic, J. ; Jitsev, J.FZJ* ; Eikerling, M. H.FZJ* ; Malek, K. (Corresponding author)FZJ* ; Eslamibidgoli, M. J. (Corresponding author)FZJ*
Deep learning for the automation of particle analysis in catalyst layers for polymer electrolyte fuel cells
Nanoscale 14(1), 10 - 18 (2022) [10.1039/D1NR06435E]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Cutsail, G. ; Schott-Verdugo, S.FZJ* ; Müller, L. ; DeBeer, S. ; Groth, G. ; Gohlke, H. (Corresponding author)FZJ*
Spectroscopic and QM/MM studies of the Cu(I) binding site of the plant ethylene receptor ETR1
Biophysical journal 121(20), 3862-3873 (2022) [10.1016/j.bpj.2022.09.007]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article De Raedt, H. (Corresponding author)FZJ* ; Jin, F.FZJ* ; Michielsen, K.FZJ*
Classical, Quantum and Event-by-Event Simulation of a Stern–Gerlach Experiment with Neutrons
Entropy 24(8), 1143 - (2022) [10.3390/e24081143]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article De Raedt, H. (Corresponding author)FZJ* ; Miyashita, S. ; Michielsen, K.FZJ* ; Vezin, H. ; Bertaina, S. ; Chiorescu, I.
Sustaining Rabi oscillations by using a phase-tunable image drive
The European physical journal / B 95(9), 158 (2022) [10.1140/epjb/s10051-022-00406-w]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Devan, S.-K. ; Schott-Verdugo, S.FZJ* ; Müntjes, K. ; Bismar, L. ; Reiners, J. ; Hachani, E. ; Schmitt, L. ; Höppner, A. ; Smits, S. H. (Corresponding author) ; Gohlke, H. (Corresponding author)FZJ* ; Feldbrügge, M. (Corresponding author)
A MademoiseLLE domain binding platform links the key RNA transporter to endosomes
PLoS Genetics 18(6), e1010269 - (2022) [10.1371/journal.pgen.1010269]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Di Napoli, E. (Corresponding author)FZJ* ; Bientinesi, P. ; Li, J. ; Uschmajew, A.
Editorial: High-performance tensor computations in scientific computing and data science
Frontiers in applied mathematics and statistics 8, 1038885 (2022) [10.3389/fams.2022.1038885]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Dittrich, J. ; Brethauer, C. ; Goncharenko, L. ; Bührmann, J. ; Zeisler-Diehl, V. ; Pariyar, S. ; Jakob, F. ; Kurkina, T. ; Schreiber, L. ; Schwaneberg, U. ; Gohlke, H. (Corresponding author)FZJ*
Rational Design Yields Molecular Insights on Leaf-Binding of Anchor Peptides
ACS applied materials & interfaces 14(25), 28412–28426 (2022) [10.1021/acsami.2c00648]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Dürr, S. (Corresponding author)FZJ* ; Weber, J. H.
Topological properties of minimally doubled fermions in two spacetime dimensions
Physical review / D 105(11), 114511 (2022) [10.1103/PhysRevD.105.114511]2022 Files Fulltext by OpenAccess repository Fulltext by arXiv.org BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Durr, S. (Corresponding author)FZJ* ; Weber, J. H.
Minimally doubled fermions and topology in 2D
2022Proceedings of The 38th International Symposium on Lattice Field Theory — PoS(LATTICE2021) - Sissa Medialab Trieste, Italy, 2022. - ISBN - doi:10.22323/1.396.0556
38th International Symposium on Lattice Field Theory, LATTICE2021, MIT, Boston (virtual)MIT, Boston (virtual), USA, 26 Jul 2021 - 30 Jul 20212021-07-262021-07-30 Sissa Medialab Trieste, Italy 396, 8 pages (2022) [10.22323/1.396.0556]2022 Files Fulltext by arXiv.org Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Durr, S. (Corresponding author)FZJ* ; Ammer, M. (Corresponding author)
Intra-taste eigenvalue splittings of staggered, Karsten-Wilczek and Borici-Creutz fermions in 2D
2022Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) - Sissa Medialab Trieste, Italy, 2022. - ISBN - doi:10.22323/1.430.0291
The 39th International Symposium on Lattice Field Theory, Lattice 2021, BonnBonn, Germany, 8 Aug 2022 - 13 Aug 20222022-08-082022-08-13 Sissa Medialab Trieste, Italy 291 pp. (2022) [10.22323/1.430.0291]2022 OpenAccess Files Fulltext BibTeX | EndNote: XML, Text | RIS

Journal Article E. Samadi, M. (Corresponding author) ; Kiefer, S. ; Fritsch, S. J.FZJ* ; Bickenbach, J. ; Schuppert, A.
A training strategy for hybrid models to break the curse of dimensionality
PLOS ONE 17(9), e0274569 - (2022) [10.1371/journal.pone.0274569]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Ejarque, J. (Corresponding author) ; Badia, R. M. ; Albertin, L. ; Aloisio, G. ; Baglione, E. ; Becerra, Y. ; Boschert, S. ; Berlin, J. R. ; D’Anca, A. ; Elia, D. ; Exertier, F. ; Fiore, S. ; Flich, J. ; Folch, A. ; Gibbons, S. J. ; Koldunov, N. ; Lordan, F. ; Lorito, S. ; Løvholt, F. ; Macías, J. ; Marozzo, F. ; Michelini, A. ; Monterrubio-Velasco, M. ; Pienkowska, M. ; de la Puente, J. ; Queralt, A. ; Quintana-Ortí, E. S. ; Rodríguez, J. E. ; Romano, F. ; Rossi, R. ; Rybicki, J.FZJ* ; Kupczyk, M. ; Selva, J. ; Talia, D. ; Tonini, R. ; Trunfio, P. ; Volpe, M.
Enabling dynamic and intelligent workflows for HPC, data analytics, and AI convergence
Future generation computer systems 134, 414-429 (2022) [10.1016/j.future.2022.04.014]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article El Harrar, T.FZJ* ; Davari, M. D. ; Jaeger, K.-E.FZJ* ; Schwaneberg, U. ; Gohlke, H. (Corresponding author)FZJ*
Critical Assessment of Structure-based Approaches to Improve Protein Resistance in Aqueous Ionic Liquids by Enzyme-wide Saturation Mutagenesis
Computational and structural biotechnology journal 20, 399-409 (2022) [10.1016/j.csbj.2021.12.018]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Engelhardt, M. (Corresponding author) ; Green, J. ; Hasan, N. ; Izubuchi, T. ; Kallidonis, C. ; Krieg, S.FZJ* ; Liuti, S. ; Meinel, S. ; Negele, J. ; Pochinsky, A. ; Rajan, A. ; Silvi, G.FZJ* ; Syritsyn, S.
Quark spin-orbit correlations in the proton
2022Proceedings of The 38th International Symposium on Lattice Field Theory — PoS(LATTICE2021) - Sissa Medialab Trieste, Italy, 2022. - ISBN - doi:10.22323/1.396.0413
The 38th International Symposium on Lattice Field Theory, Zoom/Gather@Massachusetts Institute of Technology, USA, 26 Jul 2021 - 30 Jul 20212021-07-262021-07-30 Sissa Medialab Trieste, Italy 8 pp. (2022) [10.22323/1.396.0413]2022 Files Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Ern, M. (Corresponding author)FZJ* ; Hoffmann, L.FZJ* ; Rhode, S.FZJ* ; Preusse, P.FZJ*
The Mesoscale Gravity Wave Response to the 2022 Tonga Volcanic Eruption: AIRS and MLS Satellite Observations and Source Backtracing
Geophysical research letters 49(10), e2022GL098626 (2022) [10.1029/2022GL098626]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Ernstsson, A. (Corresponding author) ; Vandenbergen, N.FZJ* ; Keller, J. ; Kessler, C.
A Deterministic Portable Parallel Pseudo-Random Number Generator for Pattern-Based Programming of Heterogeneous Parallel Systems
International journal of parallel programming 50(3-4), 319 - 340 (2022) [10.1007/s10766-022-00726-5]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Faber, C. (Corresponding author)FZJ* ; Bayou Zerihun, M. ; Schug, A. H.FZJ*
RNA structure prediction with direct coupling analysis
Biophysical journal 121(3), 204a - (2022) [10.1016/j.bpj.2021.11.1695]2022 Files BibTeX | EndNote: XML, Text | RIS

Journal Article Fan, H. C. ; Liu, X. Y. ; Li, X. F. (Corresponding author)FZJ* ; Qu, J. F. ; Yu, Q. ; Kong, Q. ; Weng, S. M. ; Chen, M. ; Büscher, M.FZJ* ; Gibbon, P.FZJ* ; Kawata, S. ; Sheng, Z. M.
Control of electron beam polarization in the bubble regime of laser-wakefield acceleration
New journal of physics 24(8), 083047 - (2022) [10.1088/1367-2630/ac8951]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Feldotto, B. (Corresponding author) ; Eppler, J. M.FZJ* ; Jimenez-Romero, C.FZJ* ; Bignamini, C. ; Gutierrez, C. E. ; Albanese, U. ; Retamino, E. ; Vorobev, V. ; Zolfaghari, V. ; Upton, A. ; Sun, Z. ; Yamaura, H. ; Heidarinejad, M. ; Klijn, W.FZJ* ; Morrison, A.FZJ* ; Cruz, F. ; McMurtrie, C. ; Knoll, A. C. ; Igarashi, J. ; Yamazaki, T. ; Doya, K. ; Morin, F. O.
Deploying and Optimizing Embodied Simulations of Large-Scale Spiking Neural Networks on HPC Infrastructure
Frontiers in neuroinformatics 16, 884180 (2022) [10.3389/fninf.2022.884180]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Friedrich, C. (Corresponding author)FZJ* ; Blügel, S.FZJ* ; Nabok, D.FZJ*
Quasiparticle Self-Consistent GW Study of Simple Metals
Nanomaterials 12(20), 3660 - (2022) [10.3390/nano12203660]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Fritsch, S. (Corresponding author)FZJ* ; Maassen, O. ; Riedel, M.FZJ*
Künstliche Intelligenz: Infrastrukturen und Voraussetzungen auf europäischer Ebene
Anästhesiologie, Intensivmedizin, Notfallmedizin, Schmerztherapie 57(03), 172 - 184 (2022) [10.1055/a-1423-8052]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Fritsch, S. (Corresponding author)FZJ* ; Sharafutdinov, K. ; Schuppert, A. ; Bickenbach, J.
Nutzung von künstlicher Intelligenz zur Bekämpfung der COVID-19-Pandemie
Anästhesiologie, Intensivmedizin, Notfallmedizin, Schmerztherapie 57(03), 185 - 197 (2022) [10.1055/a-1423-8039]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Fritsch, S. J. (Corresponding author)FZJ* ; Blankenheim, A. ; Wahl, A. ; Hetfeld, P. ; Maassen, O. ; Deffge, S. ; Kunze, J. ; Rossaint, R. ; Riedel, M.FZJ* ; Marx, G. ; Bickenbach, J.
Attitudes and perception of artificial intelligence in healthcare: A cross-sectional survey among patients
Digital health 8, 205520762211167 - (2022) [10.1177/20552076221116772]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Fröde, F. (Corresponding author) ; Grenga, T. ; Le Chenadec, V. ; Bode, M.FZJ* ; Pitsch, H.
A three-dimensional cell-based volume-of-fluid method for conservative simulations of primary atomization
Journal of computational physics 465, 111374 (2022) [10.1016/j.jcp.2022.111374]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Fuhrmann, J. (Corresponding author)FZJ* ; Lankeit, J. ; Winkler, M.
A double critical mass phenomenon in a no-flux-Dirichlet Keller-Segel system
Journal de mathématiques pures et appliquées 162, 124 - 151 (2022) [10.1016/j.matpur.2022.04.004]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Proceedings Geminiani, A. (Editor) ; Gran, M. (Editor) ; Kathrein, J. (Editor) ; Kirchner, T. (Editor)FZJ* ; Ochang, P. (Editor) ; Vogel, F. (Editor)
6th HBP Student Conference on Interdisciplinary Brain Research
20226th HBP Student Conference on Interdisciplinary Brain Research, Virtual eventVirtual event, Germany, 22 Feb 2022 - 25 Feb 20222022-02-222022-02-25 Frontiers Media SA (2022) [10.3389/978-2-88971-014-0]2022 BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Gibbon, P. (Corresponding author)FZJ* ; Chitgar, Z.FZJ* ; Büscher, M.FZJ* ; Fedorets, P.FZJ* ; Lehrach, A.FZJ* ; Li, X.FZJ* ; Zheng, C.FZJ*
Experimental and numerical studies on laser-generated spin-polarized particle beams
202248th EPS Conference on Plasma Physics, MaastrichtMaastricht, Netherlands, 27 Jun 2022 - 1 Jul 20222022-06-272022-07-01 207 pp. (2022)2022 Files Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Gong, B. (Corresponding author)FZJ* ; Langguth, M.FZJ* ; Ji, Y.FZJ* ; Mozaffari, A.FZJ* ; Stadtler, S.FZJ* ; Mache, K.FZJ* ; Schultz, M. G.FZJ*
Temperature forecasting by deep learning methods
Geoscientific model development 15(23), 8931 - 8956 (2022) [10.5194/gmd-15-8931-2022]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Gopalswamy, M. ; Kroeger, T. ; Bickel, D. ; Frieg, B.FZJ* ; Akter, S. ; Schott-Verdugo, S.FZJ* ; Viegas, A. ; Pauly, T.FZJ* ; Mayer, M. ; Przibilla, J. ; Reiners, J. ; Nagel-Steger, L.FZJ* ; Smits, S. H. J. ; Groth, G. ; Etzkorn, M.FZJ* ; Gohlke, H. (Corresponding author)FZJ*
Biophysical and pharmacokinetic characterization of a small-molecule inhibitor of RUNX1/ETO tetramerization with anti-leukemic effects
Scientific reports 12(1), 14158 (2022) [10.1038/s41598-022-17913-6]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Grassberger, P. (Corresponding author)FZJ*
On Generalized Schürmann Entropy Estimators
Entropy 24(5), 680 - (2022) [10.3390/e24050680]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Grassberger, P. (Corresponding author)FZJ*
Revisiting a low-dimensional model with short range interactions and mean field critical behavior
epl 136, 26002 (2022) [10.1209/0295-5075/ac440d]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Gregory, E. (Corresponding author)FZJ* ; Guo, F.-K. ; Hanhart, C.FZJ* ; Krieg, S.FZJ* ; Luu, T.FZJ*
Exotic states in the $\pi D$ system
2022Proceedings of The 38th International Symposium on Lattice Field Theory — PoS(LATTICE2021) - Sissa Medialab Trieste, Italy, 2022. - ISBN - doi:10.22323/1.396.0211
The 38th International Symposium on Lattice Field Theory, Zoom/Gather@Massachusetts Institute of Technology, USA, 26 Jul 2021 - 30 Jul 20212021-07-262021-07-30 Sissa Medialab Trieste, Italy 211 pp. (2022) [10.22323/1.396.0211]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Hagen, E. (Corresponding author) ; Magnusson, S. H. ; Ness, T. V. ; Halnes, G. ; Babu, P. N.FZJ* ; Linssen, C.FZJ* ; Morrison, A.FZJ* ; Einevoll, G. T.
Brain signal predictions from multi-scale networks using a linearized framework
PLoS Computational Biology 18(8), e1010353 (2022) [10.1371/journal.pcbi.1010353]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Hamamera, H. (Corresponding author)FZJ* ; Guimarães, F. S. M.FZJ* ; dos Santos Dias, M.FZJ* ; Lounis, S. (Corresponding author)FZJ*
Polarisation-dependent single-pulse ultrafast optical switching of an elementary ferromagnet
Communications Physics 5(1), 16 (2022) [10.1038/s42005-021-00798-8]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Harris, I. (Corresponding author) ; Kleefeld, A.FZJ*
Analysis and computation of the transmission eigenvalues with a conductive boundary condition
Applicable analysis 101(6), 1880-1895 (2022) [10.1080/00036811.2020.1789598]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Hautke, A. (Corresponding author) ; Voronin, A. ; Idiris, F. ; Schug, A. H.FZJ* ; Ebbinghaus, S.
Cellular ATP levels are paramount for governing stability and LLPS of CAG repeat-containing RNAs inside cell
Biophysical journal 121(3), 311a - (2022) [10.1016/j.bpj.2021.11.1202]2022 Files BibTeX | EndNote: XML, Text | RIS

Journal Article Hegglin, M. I. (Corresponding author)FZJ* ; Bastos, A. ; Bovensmann, H. ; Buchwitz, M. ; Fawcett, D. ; Ghent, D. ; Kulk, G. ; Sathyendranath, S. ; Shepherd, T. G.FZJ* ; Quegan, S. ; Röthlisberger, R. ; Briggs, S. ; Buontempo, C. ; Cazenave, A. ; Chuvieco, E. ; Ciais, P. ; Crisp, D. ; Engelen, R. ; Fadnavis, S. ; Herold, M. ; Horwath, M. ; Jonsson, O. ; Kpaka, G. ; Merchant, C. J. ; Mielke, C. ; Nagler, T. ; Paul, F. ; Popp, T. ; Quaife, T. ; Rayner, N. A. ; Robert, C. ; Schröder, M. ; Sitch, S. ; Venturini, S. ; van der Schalie, R. ; van der Vliet, M. ; Wigneron, J.-P. ; Woolway, R. I.
Space-based Earth observation in support of the UNFCCC Paris Agreement
Frontiers in Environmental Science 10, 941490 (2022) [10.3389/fenvs.2022.941490]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Heimsch, K. ; Gertzen, C. G. W. ; Schuh, K. ; Nietzel, T. ; Rahlfs, S. ; Przyborski, J. ; Gohlke, H.FZJ* ; Schwarzländer, M. ; Becker, K. ; Fritz-Wolf, K. (Corresponding author)
Structure and function of redox-sensitive superfolder green fluorescent protein variant
Antioxidants & redox signaling 37(1-3), ars.2021.0234 (2022) [10.1089/ars.2021.0234]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Heitmann, T. (Corresponding author)Extern* ; Richter, J.Extern* ; Jin, F.FZJ* ; Michielsen, K.FZJ* ; De Raedt, H.FZJ* ; Steinigeweg, R.Extern*
Spatiotemporal dynamics of classical and quantum density profiles in low-dimensional spin systems
Physical review research 4(4), 043147 (2022) [10.1103/PhysRevResearch.4.043147]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Heittmann, A. (Corresponding author)FZJ* ; Psychou, G.FZJ* ; Trensch, G.FZJ* ; Cox, C. E. ; Wilcke, W. W. ; Diesmann, M.FZJ* ; Noll, T. G.FZJ*
Simulating the Cortical Microcircuit Significantly Faster Than Real Time on the IBM INC-3000 Neural Supercomputer
Frontiers in neuroscience 15, 728460 (2022) [10.3389/fnins.2021.728460]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a book Helms, V. (Editor) ; Kalinina, O. V. (Editor) ; Schug, A. (Corresponding author)FZJ*
Correlated Coevolving Mutations at Protein–Protein Interfaces
2022Protein Interactions / Helms, Volkhard (Editor) ; : Wiley, 2022, ; ISBN: 9783527348640 ; doi:10.1002/9783527830503 Weinheim : Wiley 39-52 (2022) [10.1002/9783527830503.ch3]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Herbers, P.FZJ* ; Calvo, I. ; Diaz, S. (Corresponding author)FZJ* ; Robles Sanchez, O. D. ; Mata, S. ; Toharia, P. ; Pastor, L. ; Peyser, A.FZJ* ; Morrison, A.FZJ* ; Klijn, W. (Corresponding author)FZJ*
ConGen a simulator-agnostic visual language for definition and generation of connectivity in large and multiscale neural networks
Frontiers in neuroinformatics 15, 766697 (2022) [10.3389/fninf.2021.766697] special issue: "Neuroscience, Computing, Performance, and Benchmarks: Why It Matters to Neuroscience How Fast We Can Compute"2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Herff, S. (Corresponding author)FZJ* ; Pausch, K.FZJ* ; Meinke, M. ; Schröder, W.
Analysis of the sound sources of lean premixed methane–air flames
GAMM-Mitteilungen 45(1), e202200001 (2022) [10.1002/gamm.202200001] special issue: "Direct Numerical Simulations of Turbulent Flows – Part I"2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Herff, S. S. (Corresponding author)FZJ* ; Pausch, K.FZJ* ; Loosen, S.RWTH* ; Schröder, W.RWTH*
Impact of non-symmetric confinement on the flame dynamics of a lean-premixed swirl flame
Combustion and flame 235, 111701 (2022) [10.1016/j.combustflame.2021.111701]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Herold, J. M. (Corresponding author) ; Behle, E.FZJ* ; Schug, A. H.FZJ*
Machine learning based optimization to simulate tumor development
Biophysical journal 121(3), 123a - (2022) [10.1016/j.bpj.2021.11.2100]2022 Files BibTeX | EndNote: XML, Text | RIS

Journal Article Hoang Gia, L.FZJ* ; Goßen, J. ; Capelli, R. (Corresponding author) ; Nguyen, T. T. ; Sun, Z. ; Zuo, K.FZJ* ; Schulz, J. B.FZJ* ; Rossetti, G. (Corresponding author)FZJ* ; Carloni, P.FZJ*
Multiple Poses and Thermodynamics of Ligands Targeting Protein Surfaces: The Case of Furosemide Binding to mitoNEET in Aqueous Solution
Frontiers in cell and developmental biology 10, 886568 (2022) [10.3389/fcell.2022.886568]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Hoffmann, L. (Corresponding author)FZJ* ; Spang, R.FZJ*
An assessment of tropopause characteristics of the ERA5 and ERA-Interim meteorological reanalyses
Atmospheric chemistry and physics 22(6), 4019 - 4046 (2022) [10.5194/acp-22-4019-2022]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Hoffmann, L. (Corresponding author)FZJ* ; Baumeister, P. F.FZJ* ; Cai, Z.FZJ* ; Clemens, J.FZJ* ; Griessbach, S.FZJ* ; Günther, G.FZJ* ; Heng, Y. ; Liu, M.FZJ* ; Haghighi Mood, K.FZJ* ; Stein, O.FZJ* ; Thomas, N.FZJ* ; Vogel, B.FZJ* ; Wu, X. ; Zou, L.FZJ*
Massive-Parallel Trajectory Calculations version 2.2 (MPTRAC-2.2): Lagrangian transport simulations on graphics processing units (GPUs)
Geoscientific model development 15(7), 2731 - 2762 (2022) [10.5194/gmd-15-2731-2022]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Hüdig, M. ; Tronconi, M. A. (Corresponding author) ; Zubimendi, J. P. ; Sage, T. L. ; Poschmann, G. ; Bickel, D. ; Gohlke, H.FZJ* ; Maurino, V. G.
Respiratory and C4-photosynthetic NAD-malic enzyme coexist in bundle sheath cell mitochondria and evolved via association of differentially adapted subunits
The plant cell 34(1), 597–615 (2022) [10.1093/plcell/koab265]2022 Files BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Inanc, E. (Corresponding author)FZJ* ; Albers, M.RWTH* ; Sarma, R.FZJ* ; Aach, M.FZJ* ; Schröder, W. ; Lintermann, A.FZJ*
Parallel and Scalable Deep Learning to Reconstruct Actuated Turbulent Boundary Layer Flows. Part II: Autoencoder Training on HPC Systems
202233rd International Conference on Parallel Computational Fluid Dynamics, ParCFD2022, AlbaAlba, Italy, 25 May 2022 - 27 May 20222022-05-252022-05-27 4 pages (2022)2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Irbäck, A. (Corresponding author) ; Knuthson, L. ; Mohanty, S.FZJ* ; Peterson, C.
Folding lattice proteins with quantum annealing
Physical review research 4(4), 043013 (2022) [10.1103/PhysRevResearch.4.043013]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Jattana, M. S. (Corresponding author)FZJ* ; Jin, F.FZJ* ; De Raedt, H.FZJ* ; Michielsen, K.FZJ*
Assessment of the Variational Quantum Eigensolver: Application to the Heisenberg Model
Frontiers in physics 10, 907160 (2022) [10.3389/fphy.2022.907160]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Jayaraman, K. ; Trachtmann, N. ; Sprenger, G. A. (Corresponding author) ; Gohlke, H. (Corresponding author)FZJ*
Protein engineering for feedback resistance in 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase
Applied microbiology and biotechnology 106, 6505–6517 (2022) [10.1007/s00253-022-12166-9]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Kamel, M. ; Löwe, M. ; Schott-Verdugo, S. ; Gohlke, H. (Corresponding author)FZJ* ; Kedrov, A. (Corresponding author)
Unsaturated fatty acids augment protein transport via the SecA:SecYEG translocon
The FEBS journal 289(1), 140-162 (2022) [10.1111/febs.16140]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Kamleh, W. (Corresponding author) ; Biddle, J. ; Leinweber, D. B. ; Stokes, F. M.FZJ*
Emergent phenomena from centre vortices
2022The 38th International Symposium on Lattice Field Theory, onlineonline, USA, 25 Jul 2021 - 30 Jul 20212021-07-252021-07-30 Sissa Medialab Trieste, Italy 588 pp. (2022) [10.34734/FZJ-2023-05736]2022 OpenAccess Files Fulltext by arXiv.org BibTeX | EndNote: XML, Text | RIS

Journal Article Khosh Bin Ghomash, S. (Corresponding author) ; Bachmann, D. ; Caviedes-Voullième, D.FZJ* ; Hinz, C.
Impact of Rainfall Movement on Flash Flood Response: A Synthetic Study of a Semi-Arid Mountainous Catchment
Water 14(12), 1844 - (2022) [10.3390/w14121844]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a book Kleefeld, A. (Corresponding author)FZJ* ; Zimmermann, M.
Computing Elastic Interior Transmission Eigenvalues
2022Integral Methods in Science and Engineering Cham : Springer International Publishing 139-155 (2022) [10.1007/978-3-031-07171-3_10]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Kleinert, F. (Corresponding author)FZJ* ; Leufen, L. H.FZJ* ; Lupascu, A. ; Butler, T. ; Schultz, M. G.FZJ*
Representing chemical history in ozone time-series predictions – a model experiment study building on the MLAir (v1.5) deep learning framework
Geoscientific model development 15(23), 8913 - 8930 (2022) [10.5194/gmd-15-8913-2022] special issue: "Benchmark datasets and machine learning algorithms for Earth system science data"2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Koenig, F. ; Mulnaes, D. ; van der Weg, K.FZJ* ; Gohlke, H. (Corresponding author)FZJ*
TopSuite: Collection of Deep Learning-Based Metamethods to Predict and Evaluate Protein Structures and Properties
2022NIC Symposium 2022: proceedings
NIC Symposium 2022, JülichJülich, Germany, 29 Sep 2022 - 30 Sep 20222022-09-292022-09-30 Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 51, 47 - 54 (2022)2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Koh, S.-R. (Corresponding author)FZJ* ; Zhukov, I.FZJ* ; Frings, W.FZJ*
Simulation of Sound Wave Focusing by Variable Density Medium
2022NIC Symposium 2022: proceedings
NIC Symposium 2022, JülichJülich, Germany, 29 Sep 2022 - 30 Sep 20222022-09-292022-09-30 Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 51, 385 - 394 (2022)2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Kondapuram, M. ; Frieg, B.FZJ* ; Yüksel, S. ; Schwabe, T. ; Sattler, C. ; Lelle, M. ; Schweinitz, A. ; Schmauder, R. ; Benndorf, K. ; Gohlke, H. (Corresponding author)FZJ* ; Kusch, J. (Corresponding author)
Functional and structural characterization of interactions between opposite subunits in HCN pacemaker channels
Communications biology 5(1), 430 (2022) [10.1038/s42003-022-03360-6]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Konopka, P. (Corresponding author)FZJ* ; Tao, M. ; von Hobe, M.FZJ* ; Hoffmann, L.FZJ* ; Kloss, C.FZJ* ; Ravegnani, F. ; Volk, C. M. ; Lauther, V. ; Zahn, A. ; Hoor, P. ; Ploeger, F.FZJ*
Tropospheric transport and unresolved convection: numerical experiments with CLaMS 2.0/MESSy
Geoscientific model development 15(19), 7471 - 7487 (2022) [10.5194/gmd-15-7471-2022]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Kotov, A. Y. (Corresponding author)FZJ* ; Nogradi, D. ; Szabo, K. K.FZJ* ; Szikszai, L.
Erratum to: More on the flavor dependence of mϱ/fπ
Journal of high energy physics 2022(6), 32 (2022) [10.1007/JHEP06(2022)032]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Internal Report Kotzur, L. (Corresponding author)FZJ* ; Hoffmann, M.FZJ*RWTH* ; Priesmann, J. ; Nolting, L. ; Patil, S.FZJ* ; Kullmann, F.FZJ* ; Gross, T.FZJ*RWTH* ; Markewitz, P.FZJ* ; Linssen, J.FZJ* ; Rohe, D.FZJ* ; Praktiknjo, A. ; Stolten, D.FZJ*RWTH*
Abschlussbericht METIS - Methods und Models for Energy Transformation and Integration Systems
50 pp. (2022)2022 BibTeX | EndNote: XML, Text | RIS

Journal Article Kruse, C. G. (Corresponding author) ; Joan Alexander, M. ; Hoffmann, L.FZJ* ; Niekerk, A. v. ; Polichtchouk, I. ; Bacmeister, J. T. ; Holt, L. ; Plougonven, R. ; Šácha, P. ; Wright, C. ; Sato, K. ; Shibuya, R. ; Gisinger, S. ; Ern, M.FZJ* ; Meyer, C.FZJ* ; Stein, O.FZJ*
Observed and Modeled Mountain Waves from the Surface to the Mesosphere Near the Drake Passage
Journal of the atmospheric sciences 79(4), 909–932 (2022) [10.1175/JAS-D-21-0252.1]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Kugele, A. ; Uzun, B. ; Müller, L. ; Schott-Verdugo, S.FZJ* ; Gohlke, H.FZJ* ; Groth, G. (Corresponding author) ; Drescher, M. (Corresponding author)
Mapping the helix arrangement of the reconstituted ETR1 ethylene receptor transmembrane domain by EPR spectroscopy
RSC Advances 12, 7352 - 7356 (2022) [10.1039/D2RA00604A]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Lagemann, H. (Corresponding author)FZJ* ; Willsch, D.FZJ* ; Willsch, M.FZJ* ; Jin, F.FZJ* ; De Raedt, H. ; Michielsen, K.FZJ*
Numerical analysis of effective models for flux-tunable transmon systems
Physical review / A 106(2), 022615 (2022) [10.1103/PhysRevA.106.022615]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Leufen, L. H. (Corresponding author)FZJ* ; Kleinert, F.FZJ* ; Schultz, M. G.FZJ*
Exploring decomposition of temporal patterns to facilitate learning of neural networks for ground-level daily maximum 8-hour average ozone prediction
Environmental data science 1, e10 (2022) [10.1017/eds.2022.9]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Lippert, T.FZJ* ; Michielsen, K.FZJ*
Perspectives of Quantum Computing at the Jülich Supercomputing Centre
2022NIC Symposium 2022: proceedings
NIC Symposium 2022, JülichJülich, Germany, 29 Sep 2022 - 30 Sep 20222022-09-292022-09-30 Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 51, 3 - 23 (2022)2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Margreiter, M. A. ; Witzenberger, M. ; Wasser, Y. ; Davydova, E. ; Janowski, R. ; Metz, J. ; Habib, P. ; Sahnoun, S. E. M. ; Sobisch, C. ; Poma, B. ; Palomino-Hernandez, O. ; Wagner, M. ; Carell, T. ; Shah, N. J.FZJ* ; Schulz, J. B.FZJ* ; Niessing, D. ; Voigt, A. ; Rossetti, G. (Corresponding author)FZJ*
Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death
Computational and structural biotechnology journal 20, 443 - 458 (2022) [10.1016/j.csbj.2021.12.029]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Marjault, H.-B. ; Karmi, O. ; Zuo, K. ; Michaeli, D. ; Eisenberg-Domovich, Y. ; Rossetti, G.FZJ* ; de Chassey, B. ; Vonderscher, J. ; Cabantchik, I. ; Carloni, P.FZJ* ; Mittler, R. ; Livnah, O. ; Meldrum, E. ; Nechushtai, R. (Corresponding author)
An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters
Communications biology 5(1), 437 (2022) [10.1038/s42003-022-03393-x]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Mehta, V.FZJ* ; Jin, F.FZJ* ; Michielsen, K. (Corresponding author)FZJ* ; De Raedt, H.FZJ*
On the hardness of quadratic unconstrained binary optimization problems
Frontiers in physics 10, 956882 (2022) [10.3389/fphy.2022.956882]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Mehta, V.FZJ* ; Jin, F.FZJ* ; De Raedt, H.FZJ* ; Michielsen, K. (Corresponding author)FZJ*
Quantum annealing for hard 2-satisfiability problems: Distribution and scaling of minimum energy gap and success probability
Physical review / A 105(6), 062406 (2022) [10.1103/PhysRevA.105.062406]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Mishra, M. K. (Corresponding author) ; Hoffmann, L.FZJ* ; Thapliyal, P. K.
Investigations on the Global Spread of the Hunga Tonga-Hunga Ha’apai Volcanic Eruption Using Space-Based Observations and Lagrangian Transport Simulations
Atmosphere 13(12), 2055 (2022) [10.3390/atmos13122055]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Moreno-Alvarez, S. ; Paoletti, M. E. ; Cavallaro, G.FZJ* ; Rico, J. A. ; Haut, J. M.
Remote Sensing Image Classification Using CNNs With Balanced Gradient for Distributed Heterogeneous Computing
IEEE geoscience and remote sensing letters 19, 1 - 5 (2022) [10.1109/LGRS.2022.3173052]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Moreno-Alvarez, S. ; Paoletti, M. E. ; Rico, J. A. ; Cavallaro, G.FZJ* ; Haut, J. M.
Optimizing Distributed Deep Learning in Heterogeneous Computing Platforms for Remote Sensing Data Classification
2022IGARSS 2022 - 2022 IEEE International Geoscience and Remote Sensing Symposium, Kuala LumpurKuala Lumpur, Malaysia, 17 Jul 2022 - 22 Jul 20222022-07-172022-07-22 IEEE 2726-2729 (2022) [10.1109/IGARSS46834.2022.9883762]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Mozaffari, A. (Corresponding author)FZJ* ; Klotzsche, A.FZJ* ; Zhou, Z.FZJ* ; Vereecken, H.FZJ* ; van der Kruk, J.FZJ*
3-D Electromagnetic Modeling Explains Apparent-Velocity Increase in Crosshole GPR Data-Borehole Fluid Effect Correction Method Enables to Incorporating High-Angle Traveltime Data
IEEE transactions on geoscience and remote sensing 60, 1 - 10, Art no. 5905710 (2022) [10.1109/TGRS.2021.3107451]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Mozaffari, A. (Corresponding author)FZJ* ; Langguth, M.FZJ* ; Gong, B.FZJ* ; Ahring, J.FZJ* ; Campos, A. R. ; Nieters, P. ; Escobar, O. J. C. ; Wittenbrink, M. ; Baumann, P. ; Schultz, M. G.FZJ*
HPC-oriented Canonical Workflows for Machine Learning Applications in Climate and Weather Prediction
Data Intelligence 4(2), 271-285 (2022) [10.1162/dint_a_00131]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Mozaffari, A. (Corresponding author)FZJ* ; Selke, N.FZJ* ; Schultz, M.FZJ*
Advancing caching and automation with FDO
Research ideas and outcomes 8, e94856 (2022) [10.3897/rio.8.e94856]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Book/Proceedings Müller, M. (Editor) ; Peter, C. (Editor) ; Trautmann, A. (Editor)FZJ*
NIC Symposium 2022 Proceedings
2022NIC-Symposium, Germany, JülichJülich, 29 Sep 2022 - 30 Sep 20222022-09-292022-09-30 Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 51, v, 450 (2022)2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Nabok, D.FZJ* ; Tas, M. ; Kusaka, S. ; Durgun, E. ; Friedrich, C.FZJ* ; Bihlmayer, G.FZJ* ; Blügel, S.FZJ* ; Hirahara, T. ; Aguilera, I. (Corresponding author)
Bulk and surface electronic structure of Bi 4 Te 3 from G W calculations and photoemission experiments
Physical review materials 6(3), 034204 (2022) [10.1103/PhysRevMaterials.6.034204]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Nilsson, D. ; Bozorg, B. ; Mohanty, S.FZJ* ; Söderberg, B. ; Irbäck, A. (Corresponding author)
Limitations of field-theory simulation for exploring phase separation: The role of repulsion in a lattice protein model
The journal of chemical physics 156(1), 015101 - (2022) [10.1063/5.0070412]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Journal Article Ostmeyer, J. (Corresponding author) ; Berkowitz, E.FZJ* ; Krieg, S.FZJ* ; Lähde, T.FZJ* ; Luu, T.FZJ* ; Urbach, C.
The Semimetal-Antiferromagnetic Mott Insulator Quantum Phase Transition of the Hubbard Model on the Honeycomb Lattice
2022The 38th International Symposium on Lattice Field Theory, Zoom/Gather@Massachusetts Institute of Technology, Proceedings of Science / International School for Advanced Studies Lattice2021, 303 (2022) [10.22323/1.396.0303]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Palomino-Hernandez, O.FZJ*RWTH* ; Santambrogio, C. ; Rossetti, G.FZJ* ; Fernandez, C. O.Extern* ; Grandori, R. (Corresponding author)FZJ* ; Carloni, P. (Corresponding author)FZJ*
Molecular Dynamics-Assisted Interpretation of Experimentally Determined Intrinsically Disordered Protein Conformational Components: The Case of Human α-Synuclein
The journal of physical chemistry <Washington, DC> / B 126(20), 3632 - 3639 (2022) [10.1021/acs.jpcb.1c10954]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Parato, L. (Corresponding author) ; Borsanyi, S. ; Fodor, Z. ; Guenther, J. ; Hoelbling, C. ; Katz, S. D. ; Lellouch, L. ; Lippert, T.FZJ* ; Miura, K. ; Szabo, K.FZJ* ; Stokes, F.FZJ* ; Toth, B. C. ; Török, C.FZJ* ; Varnhorst, L.
QED and strong isospin corrections in the hadronic vacuum polarization contribution to the anomalous magnetic moment of the muon
2022Proceedings of The 38th International Symposium on Lattice Field Theory — PoS(LATTICE2021) - Sissa Medialab Trieste, Italy, 2022. - ISBN - doi:10.22323/1.396.0358
The 38th International Symposium on Lattice Field Theory, LATTICE2021, Zoom/Gather@Massachusetts Institute of Technology, USA, 26 Jul 2021 - 30 Jul 20212021-07-262021-07-30 Sissa Medialab Trieste, Italy 396, 12 pages (2022) [10.22323/1.396.0358]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Parotto, P. (Corresponding author) ; Borsanyi, S. ; Fodor, Z. ; Guenther, J. ; Kara, R. ; Katz, S. D. ; Pasztor, A. ; Ratti, C. ; Szabo, K.FZJ*
Equation of state of QCD at finite chemical potential from an alternative expansion scheme
2022Proceedings of The 38th International Symposium on Lattice Field Theory — PoS(LATTICE2021) - Sissa Medialab Trieste, Italy, 2022. - ISBN - doi:10.22323/1.396.0460
The 38th International Symposium on Lattice Field Theory, LATTICE2021, Zoom/Gather@Massachusetts Institute of Technology, USA, 26 Jul 2021 - 30 Jul 20212021-07-262021-07-30 Sissa Medialab Trieste, Italy 396, 8 pages (2022) [10.22323/1.396.0460]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Pasetto, E. (Corresponding author)FZJ* ; Delilbasic, A.FZJ* ; Cavallaro, G.FZJ* ; Willsch, M.FZJ* ; Melgani, F. ; Riedel, M.FZJ* ; Michielsen, K.FZJ*
Quantum Support Vector Regression for Biophysical Variable Estimation in Remote Sensing
2022IEEE International Geoscience and Remote Sensing Symposium (IGARSS), IGARSS 2022, Kuala LumpurKuala Lumpur, Malaysia, 17 Jul 2022 - 22 Jul 20222022-07-172022-07-22 IEEE 4903-4906 (2022) [10.1109/IGARSS46834.2022.9883963]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Pasetto, E. (Corresponding author)FZJ* ; Riedel, M.FZJ* ; Melgani, F. ; Michielsen, K.FZJ* ; Cavallaro, G.FZJ*
Quantum SVR for Chlorophyll Concentration Estimation in Water With Remote Sensing
IEEE geoscience and remote sensing letters 19, 1 - 5 (2022) [10.1109/LGRS.2022.3200325]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Pauly, T.FZJ* ; Bolakhrif, N.FZJ* ; Kaiser, J. ; Nagel-Steger, L.FZJ* ; Gremer, L.FZJ* ; Gohlke, H.FZJ* ; Willbold, D. (Corresponding author)FZJ*
Met/Val129 polymorphism of the full-length human prion protein dictates distinct pathways of amyloid formation
The journal of biological chemistry 298(10), 102430 (2022) [10.1016/j.jbc.2022.102430]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Book/Proceedings Pavarini, E.FZJ* ; Koch, E. (Corresponding author)FZJ* ; Lichtenstein, A. ; Vollhardt, D.
Dynamical Mean-Field Theory of Correlated Electrons
2022Autumn School on Correlated Electrons, correl22, JülichJülich, Germany, 4 Oct 2022 - 7 Oct 20222022-10-042022-10-07 Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Modeling and Simulation 12, (2022)2022 Files Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Pfalzner, S. (Corresponding author)FZJ* ; Dehghani, S.FZJ* ; Michel, A.
Most Planets Might Have More than 5 Myr of Time to Form
The astrophysical journal / 2 939(1), L10 - (2022) [10.3847/2041-8213/ac9839]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Pieperhoff, P. (Corresponding author)FZJ* ; Südmeyer, M. ; Dinkelbach, L. ; Hartmann, C. J. ; Ferrea, S. ; Moldovan, A. S. ; Minnerop, M.FZJ* ; Diaz-Pier, S.FZJ* ; Schnitzler, A. ; Amunts, K.FZJ*
Regional changes of brain structure during progression of idiopathic Parkinson's disease – A longitudinal study using deformation based morphometry
Cortex 151, 188 - 210 (2022) [10.1016/j.cortex.2022.03.009]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Piotrowski, Z. P. (Corresponding author)FZJ* ; Smolarkiewicz, P. K.
A suite of Richardson preconditioners for semi-implicit all-scale atmospheric models
Journal of computational physics 463, 111296 (2022) [10.1016/j.jcp.2022.111296]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Porta, N. ; Fejzagić, A. V.FZJ* ; Dumschott, K.FZJ* ; Paschold, B.FZJ* ; Usadel, B.FZJ* ; Pietruszka, J.FZJ* ; Classen, T. (Corresponding author)FZJ* ; Gohlke, H. (Corresponding author)FZJ*
Identification and Characterization of the Haloperoxidase VPO-RR from Rhodoplanes roseus by Genome Mining and Structure-Based Catalytic Site Mapping
Catalysts 12(10), 1195 - (2022) [10.3390/catal12101195]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Preuschmann, S. (Corresponding author) ; Blome, T. ; Görl, K. ; Köhnke, F. ; Steuri, B. ; El Zohbi, J. ; Rechid, D. ; Schultz, M.FZJ* ; Sun, J.FZJ* ; Jacob, D.
How to develop new digital knowledge transfer products for communicating strategies and new ways towards a carbon-neutral Germany
Advances in science and research 19, 51 - 71 (2022) [10.5194/asr-19-51-2022]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Ramp, P.FZJ* ; Pfleger, C. ; Dittrich, J. ; Mack, C.FZJ* ; Gohlke, H. (Corresponding author)FZJ* ; Bott, M. (Corresponding author)FZJ*
Physiological, Biochemical, and Structural Bioinformatic Analysis of the Multiple Inositol Dehydrogenases from Corynebacterium glutamicum
Microbiology spectrum 10(5), e01950-22 (2022) [10.1128/spectrum.01950-22]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Riedel, M. (Corresponding author)FZJ* ; Book, M. ; Neukirchen, H. ; Cavallaro, G.FZJ* ; Lintermann, A.FZJ*
Practice and Experience using High Performance Computing and Quantum Computing to Speed-up Data Science Methods in Scientific Applications
202245th Jubilee International Convention on Information, Communication and Electronic Technology (MIPRO), MIPRO, OpatijaOpatija, Croatia, 23 May 2022 - 27 May 20222022-05-232022-05-27 IEEE 281-286 (2022) [10.23919/MIPRO55190.2022.9803802]2022 Files Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Ritter, M. ; Tarraf, A. (Corresponding author) ; Geiß, A. ; Daoud, N.FZJ* ; Mohr, B. (Corresponding author)FZJ* ; Wolf, F.
Conquering Noise With Hardware Counters on HPC Systems
20222022 IEEE/ACM Workshop on Programming and Performance Visualization Tools (ProTools) : [Proceedings] - IEEE, 2022. - ISBN 978-1-6654-7564-8 - doi:10.1109/ProTools56701.2022.00007
2022 IEEE/ACM Workshop on Programming and Performance Visualization Tools (ProTools), DallasDallas, TX, 13 Nov 2022 - 18 Nov 20222022-11-132022-11-18 IEEE 1-10 (2022) [10.1109/ProTools56701.2022.00007]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Rodekamp, M. (Corresponding author)FZJ* ; Berkowitz, E.FZJ* ; Gäntgen, C.FZJ* ; Krieg, S.FZJ* ; Luu, T.FZJ* ; Ostmeyer, J.
Mitigating the Hubbard sign problem with complex-valued neural networks
Physical review / B 106(12), 125139 (2022) [10.1103/PhysRevB.106.125139]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Journal Article Rodekamp, M. (Corresponding author)FZJ* ; Gäntgen, C. (Corresponding author)FZJ*
Mitigating the Hubbard Sign Problem. A Novel Application of Machine Learning
2022The 39th International Symposium on Lattice Field Theory, BonnBonn, Germany, Proceedings of Science / International School for Advanced Studies LATTICE2022, 032 (2022) [10.22323/1.430.0032]2022 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Rojas, E. (Corresponding author) ; Knobloch, M.FZJ* ; Daoud, N.FZJ* ; Meneses, E. ; Mohr, B.FZJ*
Early Experiences of Noise-Sensitivity Performance Analysis of a Distributed Deep Learning Framework
20222022 IEEE International Conference on Cluster Computing, CLUSTER, HeidelbergHeidelberg, Germany, 6 Sep 2022 - 9 Sep 20222022-09-062022-09-09 IEEE 516-522 (2022) [10.1109/CLUSTER51413.2022.00066]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Rüttgers, M. (Corresponding author)FZJ* ; Waldmann, M. ; Schröder, W. ; Lintermann, A.FZJ*
A machine-learning-based method for automatizing lattice-Boltzmann simulations of respiratory flows
Applied intelligence 52, 9080–9100 (2022) [10.1007/s10489-021-02808-2]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Rüttgers, M. (Corresponding author)FZJ* ; Soohwan, J. ; Sangseung, L. ; Donghyun, Y.
Prediction of Typhoon Track and Intensity Using a Generative Adversarial Network With Observational and Meteorological Data
IEEE access 10, 48434-48446 (2022) [10.1109/ACCESS.2022.3172301]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Rüttgers, M.FZJ*RWTH* ; Lee, S. (Corresponding author)Extern* ; Shin, H.Extern*
Neural Networks for Improving wind Power Efficiency: A Review
Fluids 7, 12 (2022) [10.3390/fluids7120367] special issue: "Wind and Wave Renewable Energy Systems, Volume II"2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a book Santee, M. L. ; Lambert, A. ; Manney, G. L. ; Lawrence, Z. D. ; Chabrillat, S. ; Hoffmann, L.FZJ* ; Palmer, S. P. ; Minschwaner, K.
Chapter 10: Polar Processes
2022SPARC Reanalysis Intercomparison Project (S-RIP) Final Report Oberpfaffenhofen, Germany : SPARC Office, SPARC Report No. 10, WCRP-6/2021 491-532 (2022) [10.17874/800DEE57D13]2022 BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Sarma, R. (Corresponding author)FZJ* ; Albers, M.RWTH* ; Inanc, E.FZJ* ; Aach, M.FZJ* ; Schröder, W.RWTH* ; Lintermann, A.FZJ*
Parallel and Scalable Deep Learning to Reconstruct Actuated Turbulent Boundary Layer Flows. Part I: Investigation of Autoencoder-Based Trainings
202233rd International Conference on Parallel Computational Fluid Dynamics, ParCFD2022, AlbaAlba, Italy, 25 May 2022 - 27 May 20222022-05-252022-05-27 4 pages (2022)2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Schedel, A. ; Friedrich, U. A. ; Morcos, M. N. F. ; Wagener, R. ; Mehtonen, J. ; Watrin, T. ; Saitta, C. ; Brozou, T. ; Michler, P. ; Walter, C. ; Försti, A. ; Baksi, A. ; Menzel, M. ; Horak, P. ; Paramasivam, N. ; Fazio, G. ; Autry, R. J. ; Fröhling, S. ; Suttorp, M. ; Gertzen, C. ; Gohlke, H.FZJ* ; Bhatia, S. ; Wadt, K. ; Schmiegelow, K. ; Dugas, M. ; Richter, D. ; Glimm, H. ; Heinäniemi, M. ; Jessberger, R. ; Cazzaniga, G. ; Borkhardt, A. ; Hauer, J. (Corresponding author) ; Auer, F.
Recurrent Germline Variant in RAD21 Predisposes Children to Lymphoblastic Leukemia or Lymphoma
International journal of molecular sciences 23(9), 5174 - (2022) [10.3390/ijms23095174]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Schirner, M. (Corresponding author) ; Domide, L. ; Perdikis, D. ; Triebkorn, P. ; Stefanovski, L. ; Pai, R. ; Prodan, P. ; Valean, B. ; Palmer, J. ; Langford, C. ; Blickensdörfer, A. ; van der Vlag, M.FZJ* ; Diaz-Pier, S.FZJ* ; Peyser, A.FZJ* ; Klijn, W.FZJ* ; Pleiter, D.FZJ* ; Nahm, A.FZJ* ; Schmid, O. ; Woodman, M. ; Zehl, L.FZJ* ; Fousek, J. ; Petkoski, S. ; Kusch, L. ; Hashemi, M. ; Marinazzo, D. ; Mangin, J.-F. ; Flöel, A. ; Akintoye, S. ; Stahl, B. C. ; Cepic, M. ; Johnson, E. ; Deco, G. ; McIntosh, A. R. ; Hilgetag, C. C. ; Morgan, M. ; Schuller, B.FZJ* ; Upton, A. ; McMurtrie, C. ; Dickscheid, T.FZJ* ; Bjaalie, J. G. ; Amunts, K.FZJ* ; Mersmann, J. ; Jirsa, V. ; Ritter, P.
Brain simulation as a cloud service: The Virtual Brain on EBRAINS
NeuroImage 251, 118973 - (2022) [10.1016/j.neuroimage.2022.118973]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Schröder, S. (Corresponding author)FZJ* ; Epp, E.FZJ* ; Mozaffari, A.FZJ* ; Romberg, M.FZJ* ; Selke, N.FZJ* ; Schultz, M. G.FZJ*
Enabling Canonical Analysis Workflows:Documented Data Harmonization on Global Air Quality Data
Data Intelligence 4(2), 259 - 270 (2022) [10.1162/dint_a_00130] special issue: "Canonical Workflow Frameworks for Research"2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Schug, A. (Corresponding author)FZJ*
Using biomolecular simulations to interpret experimental data
Biophysical journal 121(3), 321a - (2022) [10.1016/j.bpj.2021.11.1151]2022 Files BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Schug, A. (Corresponding author)FZJ* ; Voronin, A.
Native-Contact Guided Replica Exchange Simulations of Structured RNA
2022NIC Symposium 2022: proceedings
NIC Symposium 2022, JülichJülich, Germany, 29 Sep 2022 - 30 Sep 20222022-09-292022-09-30 Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 51, 65 - 74 (2022)2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Schuhmann, C. (Corresponding author) ; Beaumont, R. (Corresponding author) ; Vencu, R. (Corresponding author) ; Gordon, C. (Corresponding author) ; Wightman, R. (Corresponding author) ; Cherti, M. (Corresponding author)FZJ* ; Coombes, T. ; Katta, A. ; Mullis, C. ; Wortsman, M. ; Schramowsk, P. ; Kundurthy, S. ; Crowson, K. ; Schmidt, L. ; Kaczmarczyk, R. ; Jitsev, J.FZJ*
LAION-5B: An open large-scale dataset for training next generation image-text models
20229781713871088, NeurIPS 2022, New Orleans, LouisianaNew Orleans, Louisiana, USA, 28 Nov 2022 - 9 Dec 20222022-11-282022-12-09 Red Hook, NY : Curran Associates, Inc., Advances in neural information processing systems 35, 25278 - 25294 (2022) [10.34734/FZJ-2024-00372]2022 OpenAccess Files Fulltext BibTeX | EndNote: XML, Text | RIS

Journal Article Schultz, M. (Corresponding author)FZJ* ; Kleinert, F.FZJ* ; Leufen, L. H.FZJ* ; Betancourt, C.FZJ* ; Schröder, S.FZJ* ; Gong, B.FZJ* ; Stadtler, S.FZJ* ; Langguth, M.FZJ* ; Mozaffari, A.FZJ*
Artificial intelligence for air quality
The project repository journal 12(1), 70 - 73 (2022) [10.54050/PRJ1218384]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Book Schultz, M. (Editor)FZJ* ; Mozaffari, A. (Editor)FZJ* ; Langguth, M. (Editor)FZJ*
Final report of the DeepRain project - Abschlußbericht des DeepRain Projektes
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek Verlag, Schriften des Forschungszentrums Jülich IAS Series 51, 77 p. (2022)2022 Files Fulltext by OpenAccess repository Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Sedona, R. (Corresponding author)FZJ* ; Paris, C. ; Tian, L. ; Riedel, M.FZJ* ; Cavallaro, G.FZJ*
An Automatic Approach for the production of a Time Series of Consistent Land-cover Maps Based on Long-short Term Memory
2022IEEE International Geoscience and Remote Sensing Symposium (IGARSS), Kuala LumpurKuala Lumpur, Malaysia, 17 Jul 2022 - 22 Jul 20222022-07-172022-07-22 IEEE 203-206 (2022) [10.1109/IGARSS46834.2022.9883655]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Sharafutdinov, K. (Corresponding author) ; Bhat, J. S. ; Fritsch, S. J.FZJ* ; Nikulina, K. ; E. Samadi, M. ; Polzin, R. ; Mayer, H. ; Marx, G. ; Bickenbach, J. ; Schuppert, A.
Application of convex hull analysis for the evaluation of data heterogeneity between patient populations of different origin and implications of hospital bias in downstream machine-learning-based data processing: A comparison of 4 critical-care patient datasets
Frontiers in Big Data 5, 603429 (2022) [10.3389/fdata.2022.603429]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Sharma, S.FZJ* ; Roscher, R.FZJ* ; Riedel, M.FZJ* ; Memon, M. S.FZJ* ; Cavallaro, G.FZJ*
Improving Generalization for Few-Shot Remote Sensing Classification with Meta-Learning
2022IEEE International Geoscience and Remote Sensing Symposium, IGARSS 2022, Kuala LumpurKuala Lumpur, Malaysia, 17 Jul 2022 - 22 Jul 20222022-07-172022-07-22 5061-5064 (2022) [10.1109/IGARSS46834.2022.9884699]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Stadtler, S. (Corresponding author)FZJ* ; Betancourt, C.FZJ* ; Roscher, R.FZJ*
Explainable Machine Learning Reveals Capabilities, Redundancy, and Limitations of a Geospatial Air Quality Benchmark Dataset
Machine learning and knowledge extraction 4(1), 150 - 171 (2022) [10.3390/make4010008]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Book/Report Suarez, E. (Corresponding author)FZJ* ; Eicker, N.FZJ* ; Moschny, T.FZJ* ; Pickartz, S.FZJ* ; Clauss, C.FZJ* ; Plugaru, V. ; Herten, A.FZJ* ; Michielsen, K.FZJ* ; Lippert, T.FZJ*
Modular Supercomputing Architecture: A success story of European R&D
ETP4HPC, White Paper 24 pp. (2022) [10.5281/ZENODO.6508394]2022 Files Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Sumner, E. M. (Corresponding author) ; Aach, M.FZJ* ; Lintermann, A.FZJ* ; Unnthorsson, R. ; Riedel, M.FZJ*
Speed-Up of Machine Learning for Sound Localization via High-Performance Computing
202226th International Conference on Information Technology (IT), IT, ZabljakZabljak, Montenegro, 16 Feb 2022 - 19 Feb 20222022-02-162022-02-19 IEEE 1-4 (2022) [10.1109/IT54280.2022.9743519]2022 Files Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Taherivardanjani, S. ; Elfgen, R. ; Reckien, W. ; Suarez, E.FZJ* ; Perlt, E. (Corresponding author) ; Kirchner, B. (Corresponding author)
Benchmarking the Computational Costs and Quality of Vibrational Spectra from Ab Initio Simulations
Advanced theory and simulations 5(1), 2100293 - (2022) [10.1002/adts.202100293]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Proceedings Terhorst, D. (Editor)FZJ* ; Elfgen, A. (Editor)FZJ* ; Antolik, J. ; Arkhipov, A. ; Kriener, L. ; Göltz, J. ; Levina, A. ; Gambosi, B. ; Tonielli, L. ; Albers, J.FZJ* ; Spreizer, S.FZJ* ; Villamar, J.FZJ* ; Mitchell, J.FZJ* ; Jiang, H.-J.FZJ* ; Mahmoudian, S. ; Benelhedi, M. A. ; Tiddia, G. ; Antonietti, A. ; Trensch, G.FZJ* ; Zajzon, B.FZJ* ; Terhorst, D.FZJ* ; van Albada, S. J.FZJ* ; Plesser, H. E. (Editor)FZJ* ; Senk, J. (Editor)FZJ* ; Kurth, A. (Editor)FZJ* ; Morrison, A. (Editor)FZJ* ; Diesmann, M. (Editor)FZJ*
NEST Conference 2022 Contributions
2022NEST Conference 2022, virtualvirtual, virtual, 23 Jun 2022 - 24 Jun 20222022-06-232022-06-24 Zenodo (2022) [10.5281/ZENODO.6779505]2022 Fulltext BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Toth, B. C. (Corresponding author) ; Borsanyi, S. ; Fodor, Z. ; Guenther, J. ; Hoelbling, C. ; Katz, S. D. ; Lellouch, L. ; Lippert, T.FZJ* ; Miura, K. ; Parato, L. ; Szabo, K.FZJ* ; Stokes, F.FZJ* ; Török, C.FZJ* ; Varnhorst, L.
Muon g-2: BMW calculation of the hadronic vacuum polarization contribution
2022Proceedings of The 38th International Symposium on Lattice Field Theory — PoS(LATTICE2021) - Sissa Medialab Trieste, Italy, 2022. - ISBN - doi:10.22323/1.396.0005
The 38th International Symposium on Lattice Field Theory, LATTICE2021, Zoom/Gather@Massachusetts Institute of Technology, USA, 26 Jul 2021 - 30 Jul 20212021-07-262021-07-30 Sissa Medialab Trieste, Italy 396, 18 pages (2022) [10.22323/1.396.0005]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Trensch, G. (Corresponding author)FZJ*RWTH* ; Morrison, A.FZJ*RWTH*
A System-on-Chip Based Hybrid Neuromorphic Compute Node Architecture for Reproducible Hyper-Real-Time Simulations of Spiking Neural Networks
Frontiers in neuroinformatics 16, 884033 (2022) [10.3389/fninf.2022.884033] special issue: "Neuroscience, Computing, Performance, and Benchmarks: Why It Matters to Neuroscience How Fast We Can Compute"2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article van der Vlag, M. (Corresponding author)FZJ* ; Woodman, M.AMU* ; Fousek, J.AMU* ; Diaz, S.FZJ* ; Pérez Martín, A.FZJ* ; Jirsa , V.AMU* ; Morrison, A.FZJ*
RateML: A Code Generation Tool for Brain Network Models
Frontiers in network physiology 2, 826345 (2022) [10.3389/fnetp.2022.826345]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Voronin, A. ; Schug, A. (Corresponding author)FZJ*
Selection of representative structures from large biomolecular ensembles
The journal of chemical physics 156(14), 144102 - (2022) [10.1063/5.0082444]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Waldmann, M. (Corresponding author)RWTH* ; Grosch, A.FZJ* ; Witzler, C.FZJ* ; Lehner, M. ; Benda, O. ; Koch, W. ; Vogt, K. ; Kohn, C. ; Schröder, W.RWTH* ; Göbbert, J. H.FZJ* ; Lintermann, A.FZJ*
An effective simulation- and measurement-based workflow for enhanced diagnostics in rhinology
Medical & biological engineering & computing 60(2), 365-391 (2021) [10.1007/s11517-021-02446-3]2021 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Weiler, A. J.FZJ* ; Spitz, O. ; Gudzuhn, M. ; Schott, S.FZJ* ; Kamel, M. ; Thiele, B.FZJ* ; Streit, W. R. ; Kedrov, A. ; Schmitt, L. ; Gohlke, H.FZJ* ; Kovacic, F. (Corresponding author)FZJ*
A phospholipase B from Pseudomonas aeruginosa with activity towards endogenous phospholipids affects biofilm assembly
Biochimica et biophysica acta / Molecular and cell biology of lipids 1867(4), 159101 - (2022) [10.1016/j.bbalip.2021.159101]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Werner, T. ; Kabadshow, I. (Corresponding author)FZJ* ; Werner, M.
Systematic Literature Review of Data Exchange Strategies for Range-limited Particle Interactions
202212th International Conference on Simulation and Modeling Methodologies, Technologies and Applications, LisbonLisbon, Portugal, 14 Jul 2022 - 16 Jul 20222022-07-142022-07-16 SCITEPRESS - Science and Technology Publications 218-225 (2022) [10.5220/0011144400003274]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Willsch, D. (Corresponding author)FZJ* ; Willsch, M.FZJ* ; Gonzalez Calaza, C. D.FZJ* ; Jin, F.FZJ* ; De Raedt, H.FZJ* ; Svensson, M. ; Michielsen, K.FZJ*
Benchmarking Advantage and D-Wave 2000Q quantum annealers with exact cover problems
Quantum information processing 21, 141 (2022) [10.1007/s11128-022-03476-y]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Willsch, D. (Corresponding author)FZJ* ; Willsch, M.FZJ* ; Jin, F.FZJ* ; Michielsen, K.FZJ* ; De Raedt, H.FZJ*
GPU-accelerated simulations of quantum annealing and the quantum approximate optimization algorithm
Computer physics communications 278, 108411 (2022) [10.1016/j.cpc.2022.108411]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Willsch, D.FZJ* ; Jattana, M. S.FZJ* ; Willsch, M.FZJ* ; Schulz, S.FZJ* ; Jin, F.FZJ* ; Raedt, H. D. ; Michielsen, K.FZJ*
Hybrid Quantum Classical Simulations
2022NIC Symposium 2022: proceedings
NIC Symposium 2022, JülichJülich, Germany, 29 Sep 2022 - 30 Sep 20222022-09-292022-09-30 Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 51, 31 - 44 (2022)2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Wittenburg, P. (Corresponding author) ; Hardisty, A. ; Franc, Y. L. ; Mozaffari, A.FZJ* ; Peer, L. ; Skvortsov, N. A. ; Zhao, Z. ; Spinuso, A.
Canonical Workflows to Make Data FAIR
Data Intelligence 4(2), 286–305 (2022) [10.1162/dint_a_00132]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Wittenburg, P. (Corresponding author) ; Hardisty, A. ; Mozaffari, A.FZJ* ; Peer, L. ; Skvortsov, N. ; Spinuso, A. ; Zhao, Z.
Editors’ Note: Special Issue on Canonical Workflow Frameworks for Research
Data Intelligence 4(2), 149 - 154 (2022) [10.1162/dint_e_00122]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Wright, C. J. (Corresponding author) ; Hindley, N. P. ; Alexander, M. J. ; Barlow, M. ; Hoffmann, L.FZJ* ; Mitchell, C. N. ; Prata, F. ; Bouillon, M. ; Carstens, J. ; Clerbaux, C. ; Osprey, S. M. ; Powell, N. ; Randall, C. E. ; Yue, J.
Surface-to-space atmospheric waves from Hunga Tonga-Hunga Ha’apai eruption
Nature <London> 609, 741–746 (2022) [10.1038/s41586-022-05012-5]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Wu, X.FZJ* ; Davidovic, D. ; Achilles, S.FZJ* ; Di Napoli, E. (Corresponding author)FZJ*
ChASE - A Distributed Hybrid CPU-GPU Eigensolver for Large-scale Hermitian Eigenvalue Problems
2022Proceedings of the Platform for Advanced Scientific Computing Conference - ACM New York, NY, USA, 2022. - ISBN 9781450394109 - doi:10.1145/3539781.3539792
Platform for Advanced Scientific Computing, PASC22, BaselBasel, Switzerland, 27 Jun 2022 - 29 Jun 20222022-06-272022-06-29 ACM New York, NY, USA 12 pages (2022) [10.1145/3539781.3539792]2022 Files Fulltext by OpenAccess repository Fulltext by arXiv.org BibTeX | EndNote: XML, Text | RIS

Journal Article Wu, X. (Corresponding author) ; Hoffmann, L.FZJ* ; Wright, C. J. ; Hindley, N. P. ; Kalisch, S. ; Alexander, M. J. ; Wang, Y.
Stratospheric Gravity Waves as a Proxy for Hurricane Intensification: A Case Study of Weather Research and Forecast Simulation for Hurricane Joaquin
Geophysical research letters 49(1), e2021GL097010 (2022) [10.1029/2021GL097010]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Xu, H. C. ; Huang, J. ; Pandyra, A. A. ; Pandey, P. ; Wang, R. ; Zhang, Z. ; Zhuang, Y. ; Gertzen, C. G. W.FZJ* ; Münk, C. ; Herebian, D. ; Borkhardt, A. ; Recher, M. ; Gohlke, H.FZJ* ; Esposito, I. ; Oberbarnscheidt, M. ; Häussinger, D. ; Lang, K. S. ; Lang, P. A. (Corresponding author)
Single MHC‐I Expression Promotes Virus‐Induced Liver Immunopathology
Hepatology communications 6(7), 1620-1633 (2022) [10.1002/hep4.1913]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Yegenoglu, A. (Corresponding author)FZJ* ; Subramoney, A. ; Hater, T.FZJ* ; Jimenez-Romero, C.FZJ* ; Klijn, W.FZJ* ; Pérez Martín, A.FZJ* ; van der Vlag, M.FZJ* ; Herty, M. ; Morrison, A.FZJ* ; Diaz, S.FZJ*
Exploring Parameter and Hyper-Parameter Spaces of Neuroscience Models on High Performance Computers With Learning to Learn
Frontiers in computational neuroscience 16, 885207 (2022) [10.3389/fncom.2022.885207]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Yessimbet, K. (Corresponding author) ; Shepherd, T. G.FZJ* ; Ossó, A. C. ; Steiner, A. K.
Pathways of Influence Between Northern Hemisphere Blocking and Stratospheric Polar Vortex Variability
Geophysical research letters 49(23), e2022GL100895 (2022) [10.1029/2022GL100895]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Yi, X. (First author)Extern* ; Zou, L. (Corresponding author)FZJ* ; Niu, Z. ; Jiang, D. ; Cao, Q.
Multi-Model Ensemble Projections of Winter Extreme Temperature Events on the Chinese Mainland
International journal of environmental research and public health 19(10), 5902 - (2022) [10.3390/ijerph19105902]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Yüksel, S. ; Bonus, M. ; Schwabe, T. ; Pfleger, C. ; Zimmer, T. ; Enke, U. ; Saß, I. ; Gohlke, H. (Corresponding author)FZJ* ; Benndorf, K. (Corresponding author) ; Kusch, J. (Corresponding author)
Uncoupling of Voltage- and Ligand-Induced Activation in HCN2 Channels by Glycine Inserts
Frontiers in physiology 13, 895324 (2022) [10.3389/fphys.2022.895324]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Zhang, X.-J.FZJ* ; Koch, E.FZJ* ; Pavarini, E. (Corresponding author)FZJ*
General superexchange Hamiltonians for magnetic and orbital physics in e<sub>g</sub> and t<sub>2g</sub> systems
Physical review / B 105(11), 115104 (2022) [10.1103/PhysRevB.105.115104]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Zhang, X.-J.FZJ* ; Koch, E.FZJ* ; Pavarini, E. (Corresponding author)FZJ*
LaVO_3 : A true Kugel-Khomskii system
Physical review / B 106(11), 115110 (2022) [10.1103/PhysRevB.106.115110]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Zhang, X.-J.FZJ* ; Koch, E.FZJ* ; Pavarini, E. (Corresponding author)FZJ*
Erratum: Origin of orbital ordering in Y Ti O 3 and La Ti O 3 [Phys. Rev. B 102 , 035113 (2020)]
Physical review / B 105(15), 159904 (2022) [10.1103/PhysRevB.105.159904]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Zhang, X.-J.FZJ* ; Rihaisamani, N. ; Adibi, E.FZJ* ; Koch, E.FZJ* ; Pavarini, E. (Corresponding author)FZJ*
Massively Parallel Simulations of Correlated Materials
2022NIC Symposium 2022: proceedings
NIC Symposium 2022, JülichJülich, Germany, 29 Sep 2022 - 30 Sep 20222022-09-292022-09-30 Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series 51, 289 - 298 (2022)2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Zhao, B. ; Ragnarsson, H. I. ; Ulfarsson, M. O. ; Cavallaro, G.FZJ* ; Benediktsson, J. A. (Corresponding author)
Predicting Classification Performance for Benchmark Hyperspectral Datasets
IEEE journal of selected topics in applied earth observations and remote sensing 15, 4180 - 4193 (2022) [10.1109/JSTARS.2022.3173893]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Zhu, Z. ; Neuwirth, S. (Corresponding author)FZJ* ; Lippert, T.FZJ*
A Comprehensive I/O Knowledge Cycle for Modular and Automated HPC Workload Analysis
20222022 IEEE International Conference on Cluster Computing (CLUSTER), HeidelbergHeidelberg, Germany, 5 Sep 2022 - 8 Sep 20222022-09-052022-09-08 IEEE 581-588 (2022) [10.1109/CLUSTER51413.2022.00076]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Zou, L. (Corresponding author)FZJ* ; Griessbach, S.FZJ* ; Hoffmann, L.FZJ* ; Spang, R.FZJ*
A global view on stratospheric ice clouds: assessment of processes related to their occurrence based on satellite observations
Atmospheric chemistry and physics 22(10), 6677 - 6702 (2022) [10.5194/acp-22-6677-2022]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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