A Eksaeva, A Kirschner, J Romazanov, S Brezinsek, Ch Linsmeier, F Maviglia, M Siccinio, S Ciattaglia
Predictive 3D modelling of erosion and deposition in ITER with ERO2.0: from beryllium main wall, tungsten divertor to full-tungsten device
Physica Scripta 97, 014001 (2022), 10.1088/1402-4896/ac454f

Abuawwad, Nihad ; dos Santos Dias, Manuel ; Abusara, Hazem ; Lounis, Samir
Noncollinear magnetism in two-dimensional CrTe2
Journal of Physics: Condensed Matter 34, 454001 (2022), 10.1088/1361-648X/ac8f08

Adamantopoulos, T. ; Merte, M. ; Go, D. ; Freimuth, F. ; Blügel, S. ; Mokrousov, Y.
Laser-induced charge and spin photocurrents at the BiAg2 surface: A first-principles benchmark
Physical Review Research 4, 043046 (2022), 10.1103/PhysRevResearch.4.043046

Akola, Jaakko ; Konstantinou, Konstantinos ; Jones, R. O.
Density functional simulations of a conductive bridging random access memory cell: Ag filament formation in amorphous GeS2
Physical Review Materials 6, (2022), 10.1103/PhysRevMaterials.6.035001

Alahmed, Laith ; Zhang, Xiaoqian ; Wen, Jiajia ; Xiong, Yuzan ; Li, Yi ; Zhang, Li-chuan ; Lux, Fabian ; Freimuth, Frank ; Mahdi, Muntasir ; Mokrousov, Yuriy ; Novosad, Valentine ; Kwok, Wai-Kwong ; Yu, Dapeng ; Zhang, Wei ; Lee, Young S. ; Li, Peng
Evidence of Magnon-Mediated Orbital Magnetism in a Quasi-2D Topological Magnon Insulator
Nano Letters 22, 5114-5119 (2022), 10.1021/acs.nanolett.2c00562

Albers, Jasper ; Pronold, Jari ; Kurth, Anno Christopher ; Vennemo, Stine Brekke ; Haghighi Mood, Kaveh ; Patronis, Alexander ; Terhorst, Dennis ; Jordan, Jakob ; Kunkel, Susanne ; Tetzlaff, Tom ; Diesmann, Markus ; Senk, Johanna
A Modular Workflow for Performance Benchmarking of Neuronal Network Simulations
Frontiers in Neuroinformatics 16, (2022), 10.3389/fninf.2022.837549

Annika Etges, Nicole Hellmig, Gudrun Walenda, Bassam G. Haddad, Jan-Philipp Machtens, Thomas Morosan, Lars Christian Rump, Ute I. Scholl
A Novel Homozygous KLHL3 Mutation as a Cause of Autosomal Recessive Pseudohypoaldosteronism Type II Diagnosed Late in Life
Nephron , 1-11 (2022), 10.1159/000521626

Artaud, Alexandre ; Rougemaille, Nicolas ; Vlaic, Sergio ; Renard, Vincent T. ; Atodiresei, Nicolae ; Coraux, Johann
Elastic properties of moiré lattices in epitaxial two-dimensional materials
Physical Review B 106, L201402 (2022), 10.1103/PhysRevB.106.L201402

Biniskos, N. ; dos Santos, F. J. ; Schmalzl, K. ; Raymond, S. ; dos Santos Dias, M. ; Persson, J. ; Marzari, N. ; Blügel, S. ; Lounis, S. ; Brückel, T.
Complex magnetic structure and spin waves of the noncollinear antiferromagnet Mn5Si3
Physical Review B 105, (2022), 10.1103/PhysRevB.105.104404

Bittner, Nora ; Korf, Horst-Werner ; Stumme, Johanna ; Jockwitz, Christiane ; Moebus, Susanne ; Schmidt, Börge ; Dragano, Nico ; Caspers, Svenja
Multimodal investigation of the association between shift work and the brain in a population-based sample of older adults
Scientific Reports 12, 1-19 (2022), 10.1038/s41598-022-05418-1

Bouaziz, Juba ; Mendive-Tapia, Eduardo ; Blügel, Stefan ; Staunton, Julie B.
Fermi-Surface Origin of Skyrmion Lattices in Centrosymmetric Rare-Earth Intermetallics
Physical Review Letters 128, 157206 (2022), 10.1103/PhysRevLett.128.157206

Brinker, Sascha ; dos Santos Dias, Manuel ; Lounis, Samir
Generalization of the Landau–Lifshitz–Gilbert equation by multi-body contributions to Gilbert damping for non-collinear magnets
Journal of Physics: Condensed Matter 34, 285802 (2022), 10.1088/1361-648X/ac699d

Brinker, Sascha ; Küster, Felix ; Parkin, Stuart S. P. ; Sessi, Paolo ; Lounis, Samir
Anomalous excitations of atomically crafted quantum magnets
Science Advances 8, (2022), 10.1126/sciadv.abi7291

Bui, Minh N. ; Rost, Stefan ; Auge, Manuel ; Tu, Jhih-Sian ; Zhou, Lanqing ; Aguilera, Irene ; Blügel, Stefan ; Ghorbani-Asl, Mahdi ; Krasheninnikov, Arkady V. ; Hashemi, Arsalan ; Komsa, Hannu-Pekka ; Jin, Lei ; Kibkalo, Lidia ; O’Connell, Eoghan N. ; Ramasse, Quentin M. ; Bangert, Ursel ; Hofsäss, Hans C. ; Grützmacher, Detlev ; Kardynal, Beata E.
Low-energy Se ion implantation in MoS2 monolayers
npj 2D Materials and Applications 6, (2022), 10.1038/s41699-022-00318-4

Caio C Silva, Daniela Dombrowski, Nicolae Atodiresei, Wouter Jolie, Ferdinand Farwick zum Hagen, Jiaqi Cai, Paul T P Ryan, Pardeep K Thakur, Vasile Caciuc, Stefan Blügel, David A Duncan, Thomas Michely, Tien-Lin Lee, Carsten Busse
Spatial variation of geometry, binding, and electronic properties in the moiré superstructure of MoS2 on Au(111)
2D Materials 9, 025003 (2022), 10.1088/2053-1583/ac4958

Carbone, Johanna P. ; Go, Dongwook ; Mokrousov, Yuriy ; Bihlmayer, Gustav ; Blügel, Stefan
Engineering spin-orbit effects and Berry curvature by deposition of a monolayer of Eu on WSe2
Physical Review B 106, 064401 (2022), 10.1103/PhysRevB.106.064401

Caspers, Svenja ; Axer, Markus ; Gräßel, David ; Amunts, Katrin
Additional fiber orientations in the sagittal stratum—noise or anatomical fine structure?
Brain Structure and Function 227, 1331-1345 (2022), 10.1007/s00429-021-02439-w

Chen, Ying-Jiun ; Hanke, Jan-Philipp ; Hoffmann, Markus ; Bihlmayer, Gustav ; Mokrousov, Yuriy ; Blügel, Stefan ; Schneider, Claus M. ; Tusche, Christian
Spanning Fermi arcs in a two-dimensional magnet
Nature Communications 13, 5309 (2022), 10.1038/s41467-022-32948-z

Deroubaix, Adrien Michel ; Hoelzemann, Judith Johanna ; Ynoue, Rita ; Bouarar, Idir ; de Souza Fernandes Duarte, Ediclê ; Elbern, Hendrik ; Lichtig, Pablo ; Martins, Leila Droprinchinski ; Rosário, Nilton Manuel Évora do ; Brasseur, Guy P. ; Cruz Alves, rafaela ; Moreira, Gregori de Arruda ; franke, phiipp ; de Fatima Andrade, Maria ; Lange, Anne Caroline ; Lemker Andreao, Willian ; Pedruzzi, rizzieri ; Toledo de Almeida Albuquerque, Taciana ; Lugon, Lya
Intercomparison of air quality models in a megacity: Towards an operational ensemble forecasting system for São Paulo
ESS Open Archive 17, (2022), 10.1002/essoar.10512847.2

Domhof, Justin W.M. ; Eickhoff, Simon B. ; Popovych, Oleksandr V.
Reliability and subject specificity of personalized whole-brain dynamical models
NeuroImage 257, 119321 (2022), 10.1016/j.neuroimage.2022.119321

Etges, Annika ; Hellmig, Nicole ; Walenda, Gudrun ; Haddad, Bassam G. ; Machtens, Jan-Philipp ; Morosan, Thomas ; Rump, Lars Christian ; Scholl, Ute I.
A Novel Homozygous KLHL3 Mutation as a Cause of Autosomal Recessive Pseudohypoaldosteronism Type II Diagnosed Late in Life
Nephron 146, 418-428 (2022), 10.1159/000521626

Frahm, Lennart ; Cieslik, Edna C. ; Hoffstaedter, Felix ; Satterthwaite, Theodore D. ; Fox, Peter T. ; Langner, Robert ; Eickhoff, Simon B.
Evaluation of thresholding methods for activation likelihood estimation meta‐analysis via large‐scale simulations
Human Brain Mapping 43, 3987-3997 (2022), 10.1002/hbm.25898

Freimuth, Frank ; Blügel, Stefan ; Mokrousov, Yuriy
Moment functional based spectral density functional theory
Physical Review B 106, 155114 (2022), 10.1103/PhysRevB.106.155114

Freimuth, Frank ; Blügel, Stefan ; Mokrousov, Yuriy
Construction of the spectral function from noncommuting spectral moment matrices
Physical Review B 106, 045135 (2022), 10.1103/PhysRevB.106.045135

Ghodichore, Nikhil ; Dhanya, C.T. ; Hendricks Franssen, Harrie-Jan
Isolating the effects of land use land cover change and inter-decadal climate variations on the water and energy cycles over India, 1981–2010
Journal of Hydrology 612, 128267 (2022), 10.1016/j.jhydrol.2022.128267

Ghosh, Sumit ; Freimuth, Frank ; Gomonay, Olena ; Blügel, Stefan ; Mokrousov, Yuriy
Driving spin chirality by electron dynamics in laser-excited antiferromagnets
Communications Physics 5, 69 (2022), 10.1038/s42005-022-00840-3

Go, Dongwook ; Sallermann, Moritz ; Lux, Fabian R. ; Blügel, Stefan ; Gomonay, Olena ; Mokrousov, Yuriy
Noncollinear Spin Current for Switching of Chiral Magnetic Textures
Physical Review Letters 129, 097204 (2022), 10.1103/PhysRevLett.129.097204

Golak, J. ; Urbanevych, V. ; Skibiński, R. ; Witała, H. ; Topolnicki, K. ; Baru, V. ; Filin, A. A. ; Epelbaum, E. ; Kamada, H. ; Nogga, A.
Pion absorption from the lowest atomic orbital in 2H, 3H, and 3He.
Physical Review C 106, 064003 (2022), 10.1103/PhysRevC.106.064003

Ha, Minh T. ; Bastin, Sophie ; Drobinski, Philippe ; Fita, L. ; Polcher, J. ; Bock, O. ; Chiriaco, M. ; Belušić, D. ; Caillaud, C. ; Dobler, A. ; Fernandez, J. ; Goergen, K. ; Hodnebrog, Ø. ; Kartsios, S. ; Katragkou, E. ; Lavin-Gullon, A. ; Lorenz, T. ; Milovac, J. ; Panitz, H.-J. ; Sobolowski, S. ; Truhetz, H. ; Warrach-Sagi, K. ; Wulfmeyer, V.
Precipitation frequency in Med-CORDEX and EURO-CORDEX ensembles from 0.44° to convection-permitting resolution: impact of model resolution and convection representation
Climate Dynamics , (2022), 10.1007/s00382-022-06594-6

Hamamera, Hanan ; Guimarães, Filipe Souza Mendes ; dos Santos Dias, Manuel ; Lounis, Samir
Polarisation-dependent single-pulse ultrafast optical switching of an elementary ferromagnet
Communications Physics 5, 16 (2022), 10.1038/s42005-021-00798-8

Harting, D. ; Knieps, A. ; Reiser, D. ; Rode, S. ; Romazanov, J. ; Börner, P. ; Feng, Y. ; Frerichs, H.
Refined guiding centre approximation for kinetic studies of Nitrogen seeding in medium density ITER L-mode scenarios with EMC3-EIRENE
Nuclear Materials and Energy 33, 101279 (2022), 10.1016/j.nme.2022.101279

Haruzi, P. ; Schmäck, J. ; Zhou, Z. ; van der Kruk, J. ; Vereecken, H. ; Vanderborght, J. ; Klotzsche, A.
Detection of Tracer Plumes Using Full‐Waveform Inversion of Time‐Lapse Ground Penetrating Radar Data: A Numerical Study in a High‐Resolution Aquifer Model
Water Resources Research 58, (2022), 10.1029/2021WR030110

Herman, Alexander ; Kraus, Stefan ; Tsukamoto, Shigeru ; Spieker, Lea ; Caciuc, Vasile ; Lojewski, Tobias ; Günzing, Damian ; Dreiser, Jan ; Delley, Bernard ; Ollefs, Katharina ; Michely, Thomas ; Atodiresei, Nicolae ; Wende, Heiko
Tailoring magnetic anisotropy by graphene-induced selective skyhook effect on 4f-metals
Nanoscale 14, 7682-7691 (2022), 10.1039/D2NR01458K

Hsu, Chunwei ; Costi, Theo A. ; Vogel, David ; Wegeberg, Christina ; Mayor, Marcel ; van der Zant, Herre S. J. ; Gehring, Pascal
Magnetic-Field Universality of the Kondo Effect Revealed by Thermocurrent Spectroscopy
Physical Review Letters 128, 147701 (2022), 10.1103/PhysRevLett.128.147701

Iyer, Priyanka ; Gompper, Gerhard ; Fedosov, Dmitry A.
Non-equilibrium shapes and dynamics of active vesicles
Soft Matter 18, 6868-6881 (2022), 10.1039/D2SM00622G

Jockwitz, Christiane ; Krämer, Camilla ; Stumme, Johanna ; Dellani, Paulo ; Moebus, Susanne ; Bittner, Nora ; Caspers, Svenja
Characterization of the angular gyrus in an older adult population: a multimodal multilevel approach
Brain Structure and Function , (2022), 10.1007/s00429-022-02529-3

Jung, Kyesam ; Florin, Esther ; Patil, Kaustubh R ; Caspers, Julian ; Rubbert, Christian ; Eickhoff, Simon B ; Popovych, Oleksandr V
Whole-brain dynamical modelling for classification of Parkinson’s disease
Brain Communications 5, fcac331 (2022), 10.1093/braincomms/fcac331

Khemtemourian, Lucie ; Fatafta, Hebah ; Davion, Benoit ; Lecomte, Sophie ; Castano, Sabine ; Strodel, Birgit
Structural Dissection of the First Events Following Membrane Binding of the Islet Amyloid Polypeptide
Frontiers in Molecular Biosciences 9, (2022), 10.3389/fmolb.2022.849979

Kim, Jun‐young ; Cramer, Joel ; Lee, Kyujoon ; Han, Dong‐Soo ; Go, Dongwook ; Salev, Pavel ; Lapa, Pavel N. ; Vargas, Nicolas M. ; Schuller, Ivan K. ; Mokrousov, Yuriy ; Jakob, Gerhard ; Kläui, Mathias
Tuning Spin‐Orbit Torques Across the Phase Transition in VO2/NiFe Heterostructure
Advanced Functional Materials , 2111555 (2022), 10.1002/adfm.202111555

Kiwitz, Kai ; Brandstetter, Andrea ; Schiffer, Christian ; Bludau, Sebastian ; Mohlberg, Hartmut ; Omidyeganeh, Mona ; Massicotte, Philippe ; Amunts, Katrin
Cytoarchitectonic Maps of the Human Metathalamus in 3D Space
Frontiers in Neuroanatomy 16, (2022), 10.3389/fnana.2022.837485

Kraus, Stefan ; Herman, Alexander ; Huttmann, Felix ; Bianchi, Marco ; Stan, Raluca-Maria ; Holt, Ann Julie ; Tsukamoto, Shigeru ; Rothenbach, Nico ; Ollefs, Katharina ; Dreiser, Jan ; Bischof, Ken ; Wende, Heiko ; Hofmann, Philip ; Atodiresei, Nicolae ; Michely, Thomas
Uniaxially Aligned 1D Sandwich-Molecular Wires: Electronic Structure and Magnetism
The Journal of Physical Chemistry C 126, 3140-3150 (2022), 10.1021/acs.jpcc.1c10625

Kraus, Stefan ; Huttmann, Felix ; Fischer, Jeison ; Knispel, Timo ; Bischof, Ken ; Herman, Alexander ; Bianchi, Marco ; Stan, Raluca-Maria ; Holt, Ann Julie ; Caciuc, Vasile ; Tsukamoto, Shigeru ; Wende, Heiko ; Hofmann, Philip ; Atodiresei, Nicolae ; Michely, Thomas
Single-crystal graphene on Ir(110)
Physical Review B 105, 165405 (2022), 10.1103/PhysRevB.105.165405

Lazić, Ivan ; Wirix, Maarten ; Leidl, Max Leo ; de Haas, Felix ; Mann, Daniel ; Beckers, Maximilian ; Pechnikova, Evgeniya V. ; Müller-Caspary, Knut ; Egoavil, Ricardo ; Bosch, Eric G. T. ; Sachse, Carsten
Single-particle cryo-EM structures from iDPC–STEM at near-atomic resolution
Nature Methods 19, 1126-1136 (2022), 10.1038/s41592-022-01586-0

Leys, Julia M. ; Ji, Yaqi ; Klinkenberg, Martina ; Kowalski, Piotr M. ; Schlenz, Hartmut ; Neumeier, Stefan ; Bosbach, Dirk ; Deissmann, Guido
Monazite-Type SmPO4 as Potential Nuclear Waste Form: Insights into Radiation Effects from Ion-Beam Irradiation and Atomistic Simulations
Materials 15, 3434 (2022), 10.3390/ma15103434

Lin, Yen-Hui ; Chen, Chia-Ju ; Kumar, Nitin ; Yeh, Ta-Yu ; Lin, Tzu-Hsuan ; Blügel, Stefan ; Bihlmayer, Gustav ; Hsu, Pin-Jui
Fabrication and Imaging Monatomic Ni Kagome Lattice on Superconducting Pb(111)
Nano Letters 22, 8475-8481 (2022), 10.1021/acs.nanolett.2c02831

Mai, M. ; Döring, M. ; Granados, C. ; Haberzettl, H. ; Hergenrather, J. ; Meißner, Ulf-G. ; Rönchen, D. ; Strakovsky, I. ; Workman, R. ; Jülich-Bonn-Washington Collaboration
Coupled-channels analysis of pion and η electroproduction within the Jülich-Bonn-Washington model
Physical Review C 106, (2022), 10.1103/PhysRevC.106.015201

Malone, R.C. ; Crowell, A.S. ; Cumberbatch, L.C. ; Fallin, B.A. ; Friesen, F.Q.L. ; Howell, C.R. ; Malone, C.R. ; Ticehurst, D.R. ; Tornow, W. ; Markoff, D.M. ; Crowe, B.J. ; Witała, H.
Measurement of the 1S0 neutron-neutron effective range in neutron-deuteron breakup
Physics Letters B 835, 137557 (2022), 10.1016/j.physletb.2022.137557

Maraun, Douglas ; Knevels, Raphael ; Mishra, Aditya N. ; Truhetz, Heimo ; Bevacqua, Emanuele ; Proske, Herwig ; Zappa, Giuseppe ; Brenning, Alexander ; Petschko, Helene ; Schaffer, Armin ; Leopold, Philip ; Puxley, Bryony L.
A severe landslide event in the Alpine foreland under possible future climate and land-use changes
Communications Earth & Environment 3, (2022), 10.1038/s43247-022-00408-7

Mario Rüttgers, Moritz Waldmann, Wolfgang Schröder, Andreas Lintermann
A machine-learning-based method for automatizing lattice-Boltzmann simulations of respiratory flows
Applied Intelligence , (2022), 10.1007/s10489-021-02808-2

Maris, P. ; Roth, R. ; Epelbaum, E. ; Furnstahl, R. J. ; Golak, J. ; Hebeler, K. ; Hüther, T. ; Kamada, H. ; Krebs, H. ; Le, H. ; Meißner, Ulf-G. ; Melendez, J. A. ; Nogga, A. ; Reinert, P. ; Skibiński, R. ; Vary, J. P. ; Witała, H. ; Wolfgruber, T. ; LENPIC Collaboration
Nuclear properties with semilocal momentum-space regularized chiral interactions beyond N2LO
Physical Review C 106, 064002, (2022), 10.1103/PhysRevC.106.064002

Menzel, Miriam ; Reuter, Jan A. ; Gräßel, David ; Costantini, Irene ; Amunts, Katrin ; Axer, Markus
Automated computation of nerve fibre inclinations from 3D polarised light imaging measurements of brain tissue
Scientific Reports 12, (2022), 10.1038/s41598-022-08140-0

Mozaffari, Amirpasha ; Klotzsche, Anja ; Zhou, Zhen ; Vereecken, Harry ; Kruk, Jan van der
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 (2022), 10.1109/TGRS.2021.3107451

Müller, Sebastian K. ; Caillaud, Cécile ; Chan, Steven ; de Vries, Hylke ; Bastin, Sophie ; Berthou, Ségolène ; Brisson, Erwan ; Demory, Marie-Estelle ; Feldmann, Hendrik ; Goergen, Klaus ; Kartsios, Stergios ; Lind, Petter ; Keuler, Klaus ; Pichelli, Emanuela ; Raffa, Mario ; Tölle, Merja H. ; Warrach-Sagi, Kirsten
Evaluation of Alpine-Mediterranean precipitation events in convection-permitting regional climate models using a set of tracking algorithms
Climate Dynamics , (2022), 10.1007/s00382-022-06555-z

Młyńczak, E. ; Aguilera, I. ; Gospodarič, P. ; Heider, T. ; Jugovac, M. ; Zamborlini, G. ; Hanke, J.-P. ; Friedrich, C. ; Mokrousov, Y. ; Tusche, C. ; Suga, S. ; Feyer, V. ; Blügel, S. ; Plucinski, L. ; Schneider, C. M.
Fe(001) angle-resolved photoemission and intrinsic anomalous Hall conductivity in Fe seen by different ab initio approaches: LDA and GGA versus GW
Physical Review B 105, 115135 (2022), 10.1103/PhysRevB.105.115135

Młyńczak, E. ; Aguilera, I. ; Gospodarič, P. ; Heider, T. ; Jugovac, M. ; Zamborlini, G. ; Hanke, J.-P. ; Friedrich, C. ; Mokrousov, Y. ; Tusche, C. ; Suga, S. ; Feyer, V. ; Blügel, S. ; Plucinski, L. ; Schneider, C. M.
Fe(001) angle-resolved photoemission and intrinsic anomalous Hall conductivity in Fe seen by different ab initio approaches: LDA and GGA versus GW
Physical Review B 105, (2022), 10.1103/PhysRevB.105.115135

Nabok, Dmitrii ; Tas, Murat ; Kusaka, Shotaro ; Durgun, Engin ; Friedrich, Christoph ; Bihlmayer, Gustav ; Blügel, Stefan ; Hirahara, Toru ; Aguilera, Irene
Bulk and surface electronic structure of Bi4Te3 from GW calculations and photoemission experiments
Physical Review Materials 6, 034204 (2022), 10.1103/PhysRevMaterials.6.034204

Nabok, Dmitrii ; Tas, Murat ; Kusaka, Shotaro ; Durgun, Engin ; Friedrich, Christoph ; Bihlmayer, Gustav ; Blügel, Stefan ; Hirahara, Toru ; Aguilera, Irene
Bulk and surface electronic structure of Bi4Te3 from GW calculations and photoemission experiments
Physical Review Materials 6, (2022), 10.1103/PhysRevMaterials.6.034204

Nádvorník, Lukáš ; Gueckstock, Oliver ; Braun, Lukas ; Niu, Chengwang ; Gräfe, Joachim ; Richter, Gunther ; Schütz, Gisela ; Takagi, Hidenori ; Zeer, Mahmoud ; Seifert, Tom S. ; Kubaščík, Peter ; Pandeya, Avanindra K. ; Anane, Abdelmadjid ; Yang, Heejun ; Bedoya‐Pinto, Amilcar ; Parkin, Stuart S. P. ; Wolf, Martin ; Mokrousov, Yuriy ; Nakamura, Hiroyuki ; Kampfrath, Tobias
Terahertz Spin‐to‐Charge Current Conversion in Stacks of Ferromagnets and the Transition‐Metal Dichalcogenide NbSe2
Advanced Materials Interfaces 9, 2201675 (2022), 10.1002/admi.202201675

Pfaff, Lara ; Gao, Jian ; Li, Zhishuai ; Jäckering, Anna ; Weber, Gert ; Mican, Jan ; Chen, Yinping ; Dong, Weiliang ; Han, Xu ; Feiler, Christian G. ; Ao, Yu-Fei ; Badenhorst, Christoffel P. S. ; Bednar, David ; Palm, Gottfried J. ; Lammers, Michael ; Damborsky, Jiri ; Strodel, Birgit ; Liu, Weidong ; Bornscheuer, Uwe T. ; Wei, Ren
Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase
ACS Catalysis 12, 9790-9800 (2022), 10.1021/acscatal.2c02275

Pieperhoff, Peter ; Südmeyer, Martin ; Dinkelbach, Lars ; Hartmann, Christian J. ; Ferrea, Stefano ; Moldovan, Alexia S. ; Minnerop, Martina ; Diaz-Pier, Sandra ; Schnitzler, Alfons ; Amunts, Katrin
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

Pronold, J. ; Jordan, J. ; Wylie, B.J.N. ; Kitayama, I. ; Diesmann, M. ; Kunkel, S.
Routing brain traffic through the von Neumann bottleneck: Efficient cache usage in spiking neural network simulation code on general purpose computers
Parallel Computing 113, 102952 (2022), 10.1016/j.parco.2022.102952

Pronold, Jari ; Jordan, Jakob ; Wylie, Brian J. N. ; Kitayama, Itaru ; Diesmann, Markus ; Kunkel, Susanne
Routing Brain Traffic Through the Von Neumann Bottleneck: Parallel Sorting and Refactoring
Frontiers in Neuroinformatics 15, (2022), 10.3389/fninf.2021.785068

Redies, Matthias ; Michalicek, Gregor ; Bouaziz, Juba ; Terboven, Christian ; Müller, Matthias S. ; Blügel, Stefan ; Wortmann, Daniel
Fast All-Electron Hybrid Functionals and Their Application to Rare-Earth Iron Garnets
Frontiers in Materials 9, (2022), 10.3389/fmats.2022.851458

Roca-Bonet, Sergi ; Wagner, Martin ; Ripoll, Marisol
Clustering of self-thermophilic asymmetric dimers: the relevance of hydrodynamics
Soft Matter , (2022), 10.1039/d2sm00523a

Roca-Bonet, Sergi ; Ripoll, Marisol
Self-phoretic Brownian dynamics simulations
The European Physical Journal E 45, 25 (2022), 10.1140/epje/s10189-022-00177-3

Rodekamp, Marcel ; Berkowitz, Evan ; Gäntgen, Christoph ; Krieg, Stefan ; Luu, Thomas ; Ostmeyer, Johann
Mitigating the Hubbard sign problem with complex-valued neural networks
Physical Review B 106, 125139 (2022), 10.1103/PhysRevB.106.125139

Romazanov, J. ; Kirschner, A. ; Brezinsek, S. ; Pitts, R.A. ; Borodin, D. ; Rode, S. ; Navarro, M.X. ; Schmid, K. ; Veshchev, E. ; Neverov, V.S. ; Kukushkin, A.B. ; Alekseev, A.G. ; Linsmeier, Ch.
Beryllium erosion and redeposition in ITER H, He and D–T discharges
Nuclear Fusion 62, 036011 (2022), 10.1088/1741-4326/ac4776

Rönchen, D. ; Döring, M. ; Meißner, U.-G. ; Shen, C.-W.
Light baryon resonances from a coupled-channel study including K\Sigma photoproduction
The European Physical Journal A 58, 229 (2022), 10.1140/epja/s10050-022-00852-1

Sajedi, Maryam ; Krivenkov, Maxim ; Marchenko, Dmitry ; Sánchez-Barriga, Jaime ; Chandran, Anoop K. ; Varykhalov, Andrei ; Rienks, Emile D. L. ; Aguilera, Irene ; Blügel, Stefan ; Rader, Oliver
Is There a Polaron Signature in Angle-Resolved Photoemission of CsPbBr3?
Physical Review Letters 128, (2022), 10.1103/PhysRevLett.128.176405

Saunderson, Tom G. ; Go, Dongwook ; Blügel, Stefan ; Kläui, Mathias ; Mokrousov, Yuriy
Hidden interplay of current-induced spin and orbital torques in bulk Fe3GeTe2
Physical Review Research 4, L042022 (2022), 10.1103/PhysRevResearch.4.L042022

Schmitz, Daniel ; Benning, Kai ; Schubert, Nicole ; Minnerop, Martina ; Amunts, Katrin ; Axer, Markus
Fast data-driven computation and intuitive visualization of fiber orientation uncertainty in 3D-polarized light imaging
Frontiers in Physics 10, (2022), 10.3389/fphy.2022.958364

Schulte to Brinke, Tobias ; Duarte, Renato ; Morrison, Abigail
Characteristic columnar connectivity caters to cortical computation: Replication, simulation, and evaluation of a microcircuit model
Frontiers in Integrative Neuroscience 16, (2022), 10.3389/fnint.2022.923468

Shehada, Sufyan ; dos Santos Dias, Manuel ; Abusaa, Muayad ; Lounis, Samir
Interplay of magnetic states and hyperfine fields of iron dimers on MgO(001)
Journal of Physics: Condensed Matter 34, 385802 (2022), 10.1088/1361-648X/ac8135

Sheverdyaeva, P. M. ; Pacilè, D. ; Topwal, D. ; Manju, U. ; Papagno, M. ; Feyer, V. ; Jugovac, M. ; Zamborlini, G. ; Cojocariu, I. ; Tusche, C. ; Tan, X. L. ; Hagiwara, K. ; Chen, Y.-J. ; Fujii, J. ; Moras, P. ; Ferrari, L. ; Vescovo, E. ; Bihlmayer, G. ; Carbone, C.
One-dimensional Rashba states with unconventional spin texture in Bi chains
Physical Review B 106, 045108 (2022), 10.1103/PhysRevB.106.045108

Soares, P. M. M. ; Careto, J. A. M. ; Cardoso, Rita M. ; Goergen, Klaus ; Katragkou, Eleni ; Sobolowski, Stefan ; Coppola, Erika ; Ban, Nikolina ; Belušić, Danijel ; Berthou, Ségolène ; Caillaud, Cécile ; Dobler, Andreas ; Hodnebrog, Øivind ; Kartsios, Stergios ; Lenderink, Geert ; Lorenz, T. ; Milovac, Josipa ; Feldmann, Hendrik ; Pichelli, Emanuela ; Truhetz, Heimo ; Demory, Marie Estelle ; de Vries, Hylke ; Warrach-Sagi, Kirsten ; Keuler, Klaus ; Raffa, Mario ; Tölle, Merja ; Sieck, Kevin ; Bastin, Sophie
The added value of km-scale simulations to describe temperature over complex orography: the CORDEX FPS-Convection multi-model ensemble runs over the Alps
Climate Dynamics , (2022), 10.1007/s00382-022-06593-7

Soler, Josep ; Meng, Shuo ; Moreno, Luis ; Neretnieks, Ivars ; Liu, Longcheng ; Kekäläinen, Pekka ; Hokr, Milan ; Říha, Jakub ; Vetešník, Aleš ; Reimitz, Dan ; Višňák, Jakub ; Vopálka, Dušan ; Kröhn, Klaus-Peter ; Tachi, Yukio ; Ito, Tsuyoshi ; Svensson, Urban ; Iraola, Aitor ; Trinchero, Paolo ; Voutilainen, Mikko ; Deissmann, Guido ; Bosbach, Dirk ; Park, Dong Kyu ; Ji, Sung-Hoon ; Gvoždík, Libor ; Milický, Martin ; Polák, Michal ; Gylling, Björn ; Lanyon, Bill
Modelling of the LTDE-SD radionuclide diffusion experiment in crystalline rock at the Äspö Hard Rock Laboratory (Sweden)
Geologica Acta 20, 1-32 (2022), 10.1344/GeologicaActa2022.20.7

Strebel, Lukas ; Bogena, Heye R. ; Vereecken, Harry ; Hendricks Franssen, Harrie-Jan
Coupling the Community Land Model version 5.0 to the parallel data assimilation framework PDAF: description and applications
Geoscientific Model Development 15, 395-411 (2022), 10.5194/gmd-15-395-2022

Stumme, Johanna ; Krämer, Camilla ; Miller, Tatiana ; Schreiber, Jan ; Caspers, Svenja ; Jockwitz, Christiane
Interrelating differences in structural and functional connectivity in the older adult's brain
Human Brain Mapping , (2022), 10.1002/hbm.26030

Tesch, Rebekka ; Kowalski, Piotr M.
Hubbard U parameters for transition metals from first principles
Physical Review B 105, 194153 (2022), 10.1103/PhysRevB.105.195153

Tiddia, Gianmarco ; Golosio, Bruno ; Albers, Jasper ; Senk, Johanna ; Simula, Francesco ; Pronold, Jari ; Fanti, Viviana ; Pastorelli, Elena ; Paolucci, Pier Stanislao ; van Albada, Sacha J.
Fast Simulation of a Multi-Area Spiking Network Model of Macaque Cortex on an MPI-GPU Cluster
Frontiers in Neuroinformatics 16, (2022), 10.3389/fninf.2022.883333

Tillmann, Ralf ; Gkatzelis, Georgios I. ; Rohrer, Franz ; Winter, Benjamin ; Wesolek, Christian ; Schuldt, Tobias ; Lange, Anne C. ; Franke, Philipp ; Friese, Elmar ; Decker, Michael ; Wegener, Robert ; Hundt, Morten ; Aseev, Oleg ; Kiendler-Scharr, Astrid
Air quality observations onboard commercial and targeted Zeppelin flights in Germany – a platform for high-resolution trace-gas and aerosol measurements within the planetary boundary layer
Atmospheric Measurement Techniques 15, 3827-3842 (2022), 10.5194/amt-15-3827-2022

Trinchero, Paolo ; Sanglas, Jordi ; Iraola, Aitor ; Bosbach, Dirk ; Deissmann, Guido
On the parameterisation of dual-continuum models for reactive transport modelling in fractured media
Journal of Hydrology 615, 128691 (2022), 10.1016/j.jhydrol.2022.128691

Upschulte, Eric ; Harmeling, Stefan ; Amunts, Katrin ; Dickscheid, Timo
Contour proposal networks for biomedical instance segmentation
Medical Image Analysis 77, 102371 (2022), 10.1016/j.media.2022.102371

Vaca, Esteban ; Menzel, Miriam ; Amunts, Katrin ; Axer, Markus ; Dickscheid, Timo
GORDA: Graph-Based Orientation Distribution Analysis of SLI Scatterometry Patterns of Nerve Fibres
2022 IEEE 19th International Symposium on Biomedical Imaging (ISBI) , (2022), 10.1109/ISBI52829.2022.9761492

Valerius, Philipp ; Speckmann, Carsten ; Senkovskiy, Boris V. ; Grüneis, Alexander ; Atodiresei, Nicolae ; Michely, Thomas
Size-limited high-density nanopore formation in two-dimensional moiré materials
Physical Review B 105, 205413 (2022), 10.1103/PhysRevB.105.205413

Verlinden, Bart ; Van Hecke, Karen ; Wilden, Andreas ; Hupert, Michelle ; Santiago-Schübel, Beatrix ; Egberink, Richard J. M. ; Verboom, Willem ; Kowalski, Piotr M. ; Modolo, Giuseppe ; Verwerft, Marc ; Binnemans, Koen ; Cardinaels, Thomas
Gamma radiolytic stability of the novel modified diglycolamide 2,2′-oxybis(N,N-didecylpropanamide) (mTDDGA) for grouped actinide extraction
RSC Advances 12, 12416-12426 (2022), 10.1039/D1RA08761D

Volkotrub, Yu. ; Skibiński, R. ; Golak, J. ; Witała, H.
Correlations among neutron-proton and neutron-deuteron elastic scattering observables
Physical Review C 106, 034002 (2022), 10.1103/PhysRevC.106.034002

Voronina, Natalia ; Shin, Min‐Young ; Kim, Hee‐Jae ; Yaqoob, Najma ; Guillon, Olivier ; Song, Seok Hyun ; Kim, Hyungsub ; Lim, Hee‐Dae ; Jung, Hun‐Gi ; Kim, Younghak ; Lee, Han‐Koo ; Lee, Kug‐Seung ; Yazawa, Koji ; Gotoh, Kazuma ; Kaghazchi, Payam ; Myung, Seung‐Taek
Hysteresis‐Suppressed Reversible Oxygen‐Redox Cathodes for Sodium‐Ion Batteries
Advanced Energy Materials 12, 2103939 (2022), 10.1002/aenm.202103939

Voronina, Natalia ; Yu, Jun Ho ; Kim, Hee Jae ; Yaqoob, Najma ; Guillon, Olivier ; Kim, Hyungsub ; Jung, Min‐Gi ; Jung, Hun‐Gi ; Yazawa, Koji ; Yashiro, Hitoshi ; Kaghazchi, Payam ; Myung, Seung‐Taek
Engineering Transition Metal Layers for Long Lasting Anionic Redox in Layered Sodium Manganese Oxide
Advanced Functional Materials 33, 2210423 (2022), 10.1002/adfm.202210423

Wang, Yu-Fei ; Rönchen, Deborah ; Meißner, Ulf-G. ; Lu, Yu ; Shen, Chao-Wei ; Wu, Jia-Jun
Reaction \piN-\omegaN in a dynamical coupled-channel approach
Physical Review D 106, 094031 (2022), 10.1103/PhysRevD.106.094031

Wischnewski, Kevin J. ; Eickhoff, Simon B. ; Jirsa, Viktor K. ; Popovych, Oleksandr V.
Towards an efficient validation of dynamical whole-brain models
Scientific Reports 12, (2022), 10.1038/s41598-022-07860-7

Witała, H. ; Golak, J. ; Skibiński, R.
Significance of chiral three-nucleon force contact terms for understanding of elastic nucleon-deuteron scattering
Physical Review C 105, 054004 (2022), 10.1103/PhysRevC.105.054004

Yang, Hung-Hsiang ; Bansal, Namrata ; Rüßmann, Philipp ; Hoffmann, Markus ; Zhang, Lichuan ; Go, Dongwook ; Li, Qili ; Haghighirad, Amir-Abbas ; Sen, Kaushik ; Blügel, Stefan ; Le Tacon, Matthieu ; Mokrousov, Yuriy ; Wulfhekel, Wulf
Magnetic domain walls of the van der Waals material Fe3GeTe2
2D Materials 9, 025022 (2022), 10.1088/2053-1583/ac5d0e

Yin, Xiaoyan ; Spatschek, Robert ; Menzler, Norbert H. ; Hüter, Claas
A Pragmatic Transfer Learning Approach for Oxygen Vacancy Formation Energies in Oxidic Ceramics
Materials 15, 2879 (2022), 10.3390/ma15082879

Yu, Yi ; Huisman, Johan Alexander ; Klotzsche, Anja ; Vereecken, Harry ; Weihermüller, Lutz
Coupled full-waveform inversion of horizontal borehole ground penetrating radar data to estimate soil hydraulic parameters: A synthetic study
Journal of Hydrology 610, 127817 (2022), 10.1016/j.jhydrol.2022.127817

Zeer, Mahmoud ; Go, Dongwook ; Carbone, Johanna P. ; Saunderson, Tom G. ; Redies, Matthias ; Kläui, Mathias ; Ghabboun, Jamal ; Wulfhekel, Wulf ; Blügel, Stefan ; Mokrousov, Yuriy
Spin and orbital transport in rare-earth dichalcogenides: The case of EuS2
Physical Review Materials 6, 074004 (2022), 10.1103/PhysRevMaterials.6.074004

Zhang, Xue-Jing ; Koch, Erik ; Pavarini, Eva
LaVO3: A true Kugel-Khomskii system
Physical Review B 106, 115110 (2022), 10.1103/PhysRevB.106.115110

Zhang, Xue-Jing ; Koch, Erik ; Pavarini, Eva
General superexchange Hamiltonians for magnetic and orbital physics in eg and t2g systems
Physical Review B 105, 115104 (2022), 10.1103/PhysRevB.105.115104

Zhou, S. ; Liang, Y. ; Knieps, A. ; Suzuki, Y. ; Geiger, J. ; Dinklage, A. ; Langenberg, A. ; Pasch, E. ; Jakubowski, M. ; Pablant, N. ; Wang, N.C. ; Drews, P. ; Bozhenkov, S. ; Liu, S. ; Xu, S. ; Gao, Y. ; Ding, Y.H. ; Huang, Z.
Equilibrium effects on the structure of island divertor and its impact on the divertor heat flux distribution in Wendelstein 7-X
Nuclear Fusion 62, 106002 (2022), 10.1088/1741-4326/ac8439

Zwartsenberg, B. ; Day, R. P. ; Razzoli, E. ; Michiardi, M. ; Na, M. X. ; Zhang, G. ; Denlinger, J. D. ; Vobornik, I. ; Bigi, C. ; Kim, B. J. ; Elfimov, I. S. ; Pavarini, E. ; Damascelli, A.
Constraints on the two-dimensional pseudospin-1/2 Mott insulator description of Sr2IrO4
Physical Review B 105, 245130 (2022), 10.1103/PhysRevB.105.245130