Publications of NIC projects 2021

A. Knetsch, B. Sheeran, L. Boulton, P. Niknejadi, K. Põder, L. Schaper, M. Zeng, S. Bohlen, G. Boyle, T. Brümmer, J. Chappell, R. D’Arcy, S. Diederichs, B. Foster, M. J. Garland, P. Gonzalez Caminal, B. Hidding, V. Libov, C. A. Lindstrøm, A. Martinez de la Ossa, M. Meisel, T. Parikh, B. Schmidt, S. Schröder, G. Tauscher, S. Wesch, P. Winkler, J. C. Wood, J. Osterhoff
Stable witness-beam formation in a beam-driven plasma cathode
Physical Review Accelerators and Beams 24, (2021), 10.1103/PhysRevAccelBeams.24.101302

A W H Kamlah, A Leveque, R Spurzem, M Arca Sedda, A Askar, S Banerjee, P Berczik, M Giersz, J Hurley, D Belloni, L Kühmichel, L Wang
Preparing the next gravitational million-body simulations: evolution of single and binary stars in body6++GPU, MOCCA and McLuster
Monthly Notices of the Royal Astronomical Society 511, 4060-4089 (2021), 10.1093/mnras/stab3748

Ahmad, Sabahuddin ; Strunk, Christoph Heinrich ; Schott-Verdugo, Stephan N. ; Jaeger, Karl-Erich ; Kovacic, Filip ; Gohlke, Holger
Substrate Access Mechanism in a Novel Membrane-Bound Phospholipase A of Pseudomonas aeruginosa Concordant with Specificity and Regioselectivity
Journal of Chemical Information and Modeling 61, 5626-5643 (2021), 10.1021/acs.jcim.1c00973

Alexandrou, C. ; Bacchio, S. ; Bergner, G. ; Constantinou, M. ; Di Carlo, M. ; Dimopoulos, P. ; Finkenrath, J. ; Fiorenza, E. ; Frezzotti, R. ; Garofalo, M. ; Hadjiyiannakou, K. ; Kostrzewa, B. ; Koutsou, G. ; Jansen, K. ; Lubicz, V. ; Mangin-Brinet, M. ; Manigrasso, F. ; Martinelli, G. ; Papadiofantous, E. ; Pittler, F. ; Rossi, G. C. ; Sanfilippo, F. ; Simula, S. ; Tarantino, C. ; Todaro, A. ; Urbach, C. ; Wenger, U. ; Extended Twisted Mass Collaboration
Quark masses using twisted-mass fermion gauge ensembles
Physical Review D 104, (2021), 10.1103/PhysRevD.104.074515

Alexandrou, C. ; Bacchio, S. ; Constantinou, M. ; Hadjiyiannakou, K. ; Jansen, K. ; Koutsou, G.
Quark flavor decomposition of the nucleon axial form factors
Physical Review D 104, (2021), 10.1103/PhysRevD.104.074503

Alexandrou, C. ; Bacchio, S. ; Constantinou, M. ; Dimopoulos, P. ; Finkenrath, J. ; Hadjiyiannakou, K. ; Jansen, K. ; Koutsou, G. ; Kostrzewa, B. ; Leontiou, T. ; Urbach, C. ; Extended Twisted Mass Collaboration
Nucleon axial and pseudoscalar form factors from lattice QCD at the physical point
Physical Review D 103, (2021), 10.1103/PhysRevD.103.034509

Alexandrou, C. ; Athenodorou, A. ; Hadjiyiannakou, K. ; Todaro, A.
Neutron electric dipole moment using lattice QCD simulations at the physical point
Physical Review D 103, (2021), 10.1103/PhysRevD.103.054501

Alexandrou, Constantia ; Bacchio, Simone ; Bergner, Georg ; Finkenrath, Jacob ; Gasbarro, Andrew ; Hadjiyiannakou, Kyriakos ; Jansen, Karl ; Kostrzewa, Bartosz ; Ottnad, Konstantin ; Petschlies, Marcus ; Pittler, Ferenc ; Steffens, Fernanda ; Urbach, Carsten ; Wenger, Urs ; Extended Twisted Mass Collaboration
Quark and Gluon Momentum Fractions in the Pion from Nf=2+1+1 Lattice QCD
Physical Review Letters 127, (2021), 10.1103/PhysRevLett.127.252001

Andreas Frommer, Karsten Kahl, Francesco Knechtli, Matthias Rottmann, Artur Strebel, Ian Zwaan
A multigrid accelerated eigensolver for the Hermitian Wilson–Dirac operator in lattice QCD
Computer Physics Communications 258, 107615 (2021), 10.1016/j.cpc.2020.107615

Andreas Kvas, Jan Martin Brockmann, Sandro Krauss, Till Schubert, Thomas Gruber, Ulrich Meyer, Torsten Mayer-Gürr, Wolf-Dieter Schuh, Adrian Jäggi, Roland Pail
GOCO06s – a satellite-only global gravity field model
Earth System Science Data 13, 99-118 (2021), 10.5194/essd-13-99-2021

Attig, Jan ; Park, Jinhong ; Scherer, Michael M ; Trebst, Simon ; Altland, Alexander ; Rosch, Achim
Universal principles of moiré band structures
2D Materials 8, 044007 (2021), 10.1088/2053-1583/ac1cf0

Aviv, Yaron ; Altay, Esra ; Burg, Ofer ; Müller, Marcus ; Rzayev, Javid ; Shenhar, Roy
Bottlebrush Block Copolymer Assembly in Ultraconfined Films: Effect of Substrate Selectivity
Macromolecules 54, 2079-2089 (2021), 10.1021/acs.macromol.0c02057

Avramov, Branislav ; Berczik, Peter ; Meiron, Yohai ; Acharya, Anshuman ; Just, Andreas
Properties of loss cone stars in a cosmological galaxy merger remnant
Astronomy & Astrophysics 649, A41 (2021), 10.1051/0004-6361/202039698

Bali, G. S. ; Bürger, S. ; Collins, S. ; Göckeler, M. ; Gruber, M. ; Piemonte, S. ; Schäfer, A. ; Sternbeck, A. ; Wein, P. ; RQCD Collaboration
Nonperturbative renormalization in lattice QCD with three flavors of clover fermions: Using periodic and open boundary conditions
Physical Review D 103, (2021), 10.1103/PhysRevD.103.094511

Becker, Daniel ; Bharatam, Prasad V. ; Gohlke, Holger
F/G Region Rigidity is Inversely Correlated to Substrate Promiscuity of Human CYP Isoforms Involved in Metabolism
Journal of Chemical Information and Modeling 61, 4023-4030 (2021), 10.1021/acs.jcim.1c00558

Bellwied, Rene ; Ratti, Claudia ; Borsányi, Szabolcs ; Parotto, Paolo ; Fodor, Zoltán ; Guenther, Jana N. ; Katz, Sándor D. ; Pásztor, Attila ; Pesznyák, Dávid ; Szabó, Kálmán K.
Corrections to the hadron resonance gas from lattice QCD and their effect on fluctuation-ratios at finite density
Physical Review D 104, (2021), 10.1103/PhysRevD.104.094508

Bianco, Michele ; Giri, Sambit K ; Iliev, Ilian T ; Mellema, Garrelt
Deep learning approach for identification of H II regions during reionization in 21-cm observations
Monthly Notices of the Royal Astronomical Society 505, 3982-3997 (2021), 10.1093/mnras/stab1518

Bianco, Michele ; Iliev, Ilian T ; Ahn, Kyungjin ; Giri, Sambit K ; Mao, Yi ; Park, Hyunbae ; Shapiro, Paul R
The impact of inhomogeneous subgrid clumping on cosmic reionization – II. Modelling stochasticity
Monthly Notices of the Royal Astronomical Society 504, 2443-2460 (2021), 10.1093/mnras/stab787

Bifeng Lei, Daniel Seipt, Mingyuan Shi, Bin Liu, Jingwei Wang, Matt Zepf, Sergey G. Rykovanov
Relativistic modified Bessel-Gaussian beam generated from plasma-based beam braiding
Physical Review A 104, L021501 (2021), 10.1103/PhysRevA.104.L021501

Bleffert, Florian ; Granzin, Joachim ; Caliskan, Muttalip ; Schott-Verdugo, Stephan N. ; Siebers, Meike ; Thiele, Björn ; Rahme, Laurence ; Felgner, Sebastian ; Dörmann, Peter ; Gohlke, Holger ; Batra-Safferling, Renu ; Jaeger, Karl-Erich ; Kovačić, Filip
Evidence for a bacterial Lands cycle phospholipase A: Structural and mechanistic insights into membrane phospholipid remodeling
, (2021), 10.1101/2021.06.22.448587

Bollweg, D. ; Goswami, J. ; Kaczmarek, O. ; Karsch, F. ; Mukherjee, Swagato ; Petreczky, P. ; Schmidt, C. ; Scior, P. ; HotQCD Collaboration
Second order cumulants of conserved charge fluctuations revisited: Vanishing chemical potentials
Physical Review D 104, (2021), 10.1103/PhysRevD.104.074512

Borggräfe, Jan ; Victor, Julian ; Rosenbach, Hannah ; Viegas, Aldino ; Gertzen, Christoph G. W. ; Wuebben, Christine ; Kovacs, Helena ; Gopalswamy, Mohanraj ; Riesner, Detlev ; Steger, Gerhard ; Schiemann, Olav ; Gohlke, Holger ; Span, Ingrid ; Etzkorn, Manuel
Time-resolved structural analysis of an RNA-cleaving DNA catalyst
Nature 601, 144-149 (2021), 10.1038/s41586-021-04225-4

Botteon, A. ; Giacintucci, S. ; Gastaldello, F. ; Venturi, T. ; Brunetti, G. ; van Weeren, R. J. ; Shimwell, T. W. ; Rossetti, M. ; Akamatsu, H. ; Brüggen, M. ; Cassano, R. ; Cuciti, V. ; de Gasperin, F. ; Drabent, A. ; Hoeft, M. ; Mandal, S. ; Röttgering, H. J. A. ; Tasse, C.
Nonthermal phenomena in the center of Abell 1775
Astronomy & Astrophysics 649, A37 (2021), 10.1051/0004-6361/202040083

Brienza, M. ; Shimwell, T. W. ; de Gasperin, F. ; Bikmaev, I. ; Bonafede, A. ; Botteon, A. ; Brüggen, M. ; Brunetti, G. ; Burenin, R. ; Capetti, A. ; Churazov, E. ; Hardcastle, M. J. ; Khabibullin, I. ; Lyskova, N. ; Röttgering, H. J. A. ; Sunyaev, R. ; van Weeren, R. J. ; Gastaldello, F. ; Mandal, S. ; Purser, S. J. D. ; Simionescu, A. ; Tasse, C.
A snapshot of the oldest active galactic nuclei feedback phases
Nature Astronomy 5, 1261-1267 (2021), 10.1038/s41550-021-01491-0

Brito Gadeschi, Gonzalo ; Schilden, Thomas ; Albers, Marian ; Vorspohl, Julian ; Meinke, Matthias ; Schröder, Wolfgang
Direct particle–fluid simulation of flushing flow in electrical discharge machining
Engineering Applications of Computational Fluid Mechanics 15, 328-343 (2021), 10.1080/19942060.2021.1877198

Bruni, G ; Brienza, M ; Panessa, F ; Bassani, L ; Dallacasa, D ; Venturi, T ; Baldi, R D ; Botteon, A ; Drabent, A ; Malizia, A ; Massaro, F ; Röttgering, H J A ; Ubertini, P ; Ursini, F ; van Weeren, R J
Hard X-ray selected giant radio galaxies – III. The LOFAR view
Monthly Notices of the Royal Astronomical Society 503, 4681-4699 (2021), 10.1093/mnras/stab623

Bruno, L. ; Rajpurohit, K. ; Brunetti, G. ; Gastaldello, F. ; Botteon, A. ; Ignesti, A. ; Bonafede, A. ; Dallacasa, D. ; Cassano, R. ; van Weeren, R. J. ; Cuciti, V. ; Di Gennaro, G. ; Shimwell, T. ; Brüggen, M.
The LOFAR and JVLA view of the distant steep spectrum radio halo in MACS J1149.5+2223
Astronomy & Astrophysics 650, A44 (2021), 10.1051/0004-6361/202039877

Buaria, Dhawal ; Clay, Matthew P. ; Sreenivasan, Katepalli R. ; Yeung, P. K.
Small-Scale Isotropy and Ramp-Cliff Structures in Scalar Turbulence
Physical Review Letters 126, (2021), 10.1103/PhysRevLett.126.034504

Buaria, Dhawal ; Clay, Matthew P. ; Sreenivasan, Katepalli R. ; Yeung, P. K.
Turbulence is an Ineffective Mixer when Schmidt Numbers Are Large
Physical Review Letters 126, (2021), 10.1103/PhysRevLett.126.074501

Buaria, Dhawal ; Pumir, Alain
Nonlocal amplification of intense vorticity in turbulent flows
Physical Review Research 3, (2021), 10.1103/PhysRevResearch.3.L042020

Butt, Sahir N. ; Meschke, Günther
Peridynamic analysis of dynamic fracture: influence of peridynamic horizon, dimensionality and specimen size
Computational Mechanics 67, 1719-1745 (2021), 10.1007/s00466-021-02017-1

Butt, Sahir N. ; Meschke, Günther
Influence of dimensionality and specimen size on dynamic fracture
PAMM 21, (2021), 10.1002/pamm.202100207

Callingham, J. R. ; Vedantham, H. K. ; Shimwell, T. W. ; Pope, B. J. S. ; Davis, I. E. ; Best, P. N. ; Hardcastle, M. J. ; Röttgering, H. J. A. ; Sabater, J. ; Tasse, C. ; van Weeren, R. J. ; Williams, W. L. ; Zarka, P. ; de Gasperin, F. ; Drabent, A.
The population of M dwarfs observed at low radio frequencies
Nature Astronomy 5, 1233-1239 (2021), 10.1038/s41550-021-01483-0

Cao, Karl-Kiên ; Pregger, Thomas ; Haas, Jannik ; Lens, Hendrik
To Prevent or Promote Grid Expansion? Analyzing the Future Role of Power Transmission in the European Energy System
Frontiers in Energy Research 8, (2021), 10.3389/fenrg.2020.541495

Chan, Robin ; Rottmann, Matthias ; Gottschalk, Hanno
Entropy Maximization and Meta Classification for Out-of-Distribution Detection in Semantic Segmentation
2021 IEEE/CVF International Conference on Computer Vision (ICCV) , (2021), 10.1109/ICCV48922.2021.00508

Chappa, Veronica ; Smirnova, Yuliya ; Komorowski, Karlo ; Müller, Marcus ; Salditt, Tim
The effect of polydispersity, shape fluctuations and curvature on small unilamellar vesicle small-angle X-ray scattering curves
Journal of Applied Crystallography 54, 557-568 (2021), 10.1107/S1600576721001461

Chen, Xiaoping ; Kretz, Bernhard ; Adoah, Francis ; Nickle, Cameron ; Chi, Xiao ; Yu, Xiaojiang ; del Barco, Enrique ; Thompson, Damien ; Egger, David A. ; Nijhuis, Christian A.
A single atom change turns insulating saturated wires into molecular conductors
Nature Communications 12, (2021), 10.1038/s41467-021-23528-8

Cheng Chi, Gábor Janiga, Dominique Thévenin
On-the-fly artificial neural network for chemical kinetics in direct numerical simulations of premixed combustion
Combustion and Flame 226, 467-477 (2021), 10.1016/j.combustflame.2020.12.038

Chi, Cheng ; Abdelsamie, Abouelmagd ; Thévenin, Dominique
Transient Ignition of Premixed Methane/Air Mixtures by a Pre-chamber Hot Jet: a DNS Study
Flow, Turbulence and Combustion 108, 775-795 (2021), 10.1007/s10494-021-00292-9

Chugh, Manjusha ; Jain, Mitisha ; Wang, Gang ; Nia, Ali Shaygan ; Mirhosseini, Hossein ; Kühne, Thomas D
A combinatorial study of electrochemical anion intercalation into graphite
Materials Research Express 8, 085502 (2021), 10.1088/2053-1591/ac1965

Chylik, Jan ; Chechin, Dmitry ; Dupuy, Regis ; Kulla, Birte S. ; Lüpkes, Christof ; Mertes, Stephan ; Mech, Mario ; Neggers, Roel A. J.
Aerosol-cloud-turbulence interactions in well-coupled Arctic boundary layers over open water
, (2021), 10.5194/acp-2021-888

Clara Betancourt, Björn Hagemeier, Sabine Schröder, Martin G. Schultz
Context aware benchmarking and tuning of a TByte-scale air quality database and web service
Earth Science Informatics , (2021), 10.1007/s12145-021-00631-4

Clara Betancourt, Timo Stomberg, Ribana Roscher, Martin G. Schultz, Scarlet Stadtler
AQ-Bench: a benchmark dataset for machine learning on global air quality metrics
Earth System Science Data 13, 3013-3033 (2021), 10.5194/essd-13-3013-2021

Clarke, D. A. ; Kaczmarek, O. ; Karsch, F. ; Lahiri, Anirban ; Sarkar, Mugdha
Sensitivity of the Polyakov loop and related observables to chiral symmetry restoration
Physical Review D 103, (2021), 10.1103/PhysRevD.103.L011501

Contreras, Francisca ; Nutschel, Christina ; Beust, Laura ; Davari, Mehdi D. ; Gohlke, Holger ; Schwaneberg, Ulrich
Can constraint network analysis guide the identification phase of KnowVolution? A case study on improved thermostability of an endo-β-glucanase
Computational and Structural Biotechnology Journal 19, 743-751 (2021), 10.1016/j.csbj.2020.12.034

D. Djukanovic, T. Harris, G. von Hippel, P.M. Junnarkar, H.B. Meyer, D. Mohler, K. Ottnad, T. Schulz, J. Wilhelm, H. Wittig
Isovector electromagnetic form factors of the nucleon from lattice QCD and the proton radius puzzle
Phys.Rev.D 103, 094522 (2021), 10.1103/PhysRevD.103.094522

Danu, Bimla ; Liu, Zihong ; Assaad, Fakher F. ; Raczkowski, Marcin
Zooming in on heavy fermions in Kondo lattice models
Physical Review B 104, (2021), 10.1103/PhysRevB.104.155128

Dávila López, Alexandra C. ; Eggert, Thorben ; Reuter, Karsten ; Hörmann, Nicolas G.
Static and dynamic water structures at interfaces: A case study with focus on Pt(111)
The Journal of Chemical Physics 155, 194702 (2021), 10.1063/5.0067106

Deepak Ojha, Thomas D. Kühne
Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy
Scientific Reports 11, (2021), 10.1038/s41598-021-81635-4

Dennis Wenzel, Michael Nestler, Sebastian Reuther, Maximilian Simon, Axel Voigt
Defects in Active Nematics – Algorithms for Identification and Tracking
Computational Methods in Applied Mathematics 0, (2021), 10.1515/CMAM-2020-0021

Dhawal Buaria, Matthew P. Clay, Katepalli R. Sreenivasan, P. K. Yeung
Small-Scale Isotropy and Ramp-Cliff Structures in Scalar Turbulence
Physical Review Letters 126, (2021), 10.1103/PhysRevLett.126.034504

Dhawal Buaria, Matthew P. Clay, Katepalli R. Sreenivasan, P. K. Yeung
Turbulence is an Ineffective Mixer when Schmidt Numbers Are Large
Physical Review Letters 126, (2021), 10.1103/PhysRevLett.126.074501

Driskell, George ; Lederer, Samuel ; Bauer, Carsten ; Trebst, Simon ; Kim, Eun-Ah
Identification of Non-Fermi Liquid Physics in a Quantum Critical Metal via Quantum Loop Topography
Physical Review Letters 127, (2021), 10.1103/PhysRevLett.127.046601

Egerer, Ulrike ; Ehrlich, André ; Gottschalk, Matthias ; Griesche, Hannes ; Neggers, Roel A. J. ; Siebert, Holger ; Wendisch, Manfred
Case study of a humidity layer above Arctic stratocumulus and potential turbulent coupling with the cloud top
Atmospheric Chemistry and Physics 21, 6347-6364 (2021), 10.5194/acp-21-6347-2021

El Harrar, Till ; Frieg, Benedikt ; Davari, Mehdi D. ; Jaeger, Karl-Erich ; Schwaneberg, Ulrich ; Gohlke, Holger
Aqueous ionic liquids redistribute local enzyme stability via long-range perturbation pathways
Computational and Structural Biotechnology Journal 19, 4248-4264 (2021), 10.1016/j.csbj.2021.07.001

Emanuel K. Peter, Dietmar J. Manstein, Joan-Emma Shea, Alexander Schug
CORE-MD II: A fast, adaptive, and accurate enhanced sampling method
The Journal of Chemical Physics 155, 104114 (2021), 10.1063/5.0063664

Eslamibidgoli, Mohammad J. ; Tipp, Fabian P. ; Jitsev, Jenia ; Jankovic, Jasna ; Eikerling, Michael H. ; Malek, Kourosh
Convolutional neural networks for high throughput screening of catalyst layer inks for polymer electrolyte fuel cells
RSC Advances 11, 32126-32134 (2021), 10.1039/d1ra05324h

Eslamibidgoli, Mohammad J. ; Tipp, Fabian P. ; Jitsev, Jenia ; Jankovic, Jasna ; Eikerling, Michael H. ; Malek, Kourosh
Convolutional neural networks for high throughput screening of catalyst layer inks for polymer electrolyte fuel cells
RSC Advances 11, 32126-32134 (2021), 10.1039/D1RA05324H

F. Allmann-Rahn, S. Lautenbach, R. Grauer, R. D. Sydora
Fluid simulations of three-dimensional reconnection that capture the lower-hybrid drift instability
Journal of Plasma Physics 87, (2021), 10.1017/S0022377820001683

Falsafi, Sherwin ; Blume, Martin ; Klaua, Thomas ; Indrich, Maximilian ; Wloka, Johann ; Skoda, Romuald
Numerical simulation of cavitating flow in maritime high-pressure direct fuel injection nozzles and assessment of cavitation-erosion damage
International Journal of Engine Research , 146808742110521 (2021), 10.1177/14680874211052138

Felix Kleinert, Lukas H. Leufen, Martin G. Schultz
IntelliO3-ts v1.0: a neural network approach to predict near-surface ozone concentrations in Germany
Geoscientific Model Development 14, 1-25 (2021), 10.5194/gmd-14-1-2021

Filipovic, M. ; Baumann, C. ; Pukhov, A.M. ; Samsonov, A.S. ; Kostyukov, I.Yu.
Effect of transverse displacement of charged particle beams on quantum electrodynamic processes during their collision
Quantum Electronics 51, 807-811 (2021), 10.1070/QEL17606

Fischer, Matthias ; Kostrzewa, Bartosz ; Mai, Maxim ; Petschlies, Marcus ; Pittler, Ferenc ; Ueding, Martin ; Urbach, Carsten ; Werner, Markus
The ρ-resonance from N = 2 lattice QCD including the physical pion mass
Physics Letters B 819, 136449 (2021), 10.1016/j.physletb.2021.136449

Fischer, Matthias ; Kostrzewa, Bartosz ; Liu, Liuming ; Romero-López, Fernando ; Ueding, Martin ; Urbach, Carsten
Scattering of two and three physical pions at maximal isospin from lattice QCD
The European Physical Journal C 81, (2021), 10.1140/epjc/s10052-021-09206-5

Flachbart, Lion Konstantin ; Gertzen, Christoph Gerhard Wilhelm ; Gohlke, Holger ; Marienhagen, Jan
Development of a Biosensor Platform for Phenolic Compounds Using a Transition Ligand Strategy
ACS Synthetic Biology 10, 2002-2014 (2021), 10.1021/acssynbio.1c00165

Gloudemans, A. J. ; Duncan, K. J. ; Röttgering, H. J. A. ; Shimwell, T. W. ; Venemans, B. P. ; Best, P. N. ; Brüggen, M. ; Calistro Rivera, G. ; Drabent, A. ; Hardcastle, M. J. ; Miley, G. K. ; Schwarz, D. J. ; Saxena, A. ; Smith, D. J. B. ; Williams, W. L.
Low frequency radio properties of the z > ​5 quasar population
Astronomy & Astrophysics 656, A137 (2021), 10.1051/0004-6361/202141722

Gottlieb, Steven ; Pigard, Louis ; Ryu, Yu Kyoung ; Lorenzoni, Matteo ; Evangelio, Laura ; Fernández-Regúlez, Marta ; Rawlings, Colin D. ; Spieser, Martin ; Perez-Murano, Francesc ; Müller, Marcus ; Knoll, Armin W.
Thermal Imaging of Block Copolymers with Sub-10 nm Resolution
ACS Nano 15, 9005-9016 (2021), 10.1021/acsnano.1c01820

Griesser, Christoph ; Li, Haobo ; Wernig, Eva-Maria ; Winkler, Daniel ; Shakibi Nia, Niusha ; Mairegger, Thomas ; Götsch, Thomas ; Schachinger, Thomas ; Steiger-Thirsfeld, Andreas ; Penner, Simon ; Wielend, Dominik ; Egger, David ; Scheurer, Christoph ; Reuter, Karsten ; Kunze-Liebhäuser, Julia
True Nature of the Transition-Metal Carbide/Liquid Interface Determines Its Reactivity
ACS Catalysis 11, 4920-4928 (2021), 10.1021/acscatal.1c00415

Gronow, Sabrina ; Côté, Benoit ; Lach, Florian ; Seitenzahl, Ivo R. ; Collins, Christine E. ; Sim, Stuart A. ; Röpke, Friedrich K.
Metallicity-dependent nucleosynthetic yields of Type Ia supernovae originating from double detonations of sub-M_Ch white dwarfs
Astronomy & Astrophysics 656, A94 (2021), 10.1051/0004-6361/202140881

Heiko Burau, Markus Heyl
Unitary Long-Time Evolution with Quantum Renormalization Groups and Artificial Neural Networks
Physical Review Letters 127, (2021), 10.1103/PhysRevLett.127.050601

Heißenbüttel, Marie-Christin ; Deilmann, Thorsten ; Krüger, Peter ; Rohlfing, Michael
Valley-Dependent Interlayer Excitons in Magnetic WSe2/CrI3
Nano Letters 21, 5173-5178 (2021), 10.1021/acs.nanolett.1c01232

Heyder, Florian ; Schumacher, Jörg
Echo state network for two-dimensional turbulent moist Rayleigh-Bénard convection
Physical Review E 103, (2021), 10.1103/PhysRevE.103.053107

Jaguva Vasudevan, Ananda Ayyappan ; Becker, Daniel ; Luedde, Tom ; Gohlke, Holger ; Münk, Carsten
Foamy Viruses, Bet, and APOBEC3 Restriction
Viruses 13, 504 (2021), 10.3390/v13030504

Jaladanki, Chaitanya K. ; Khatun, Samima ; Gohlke, Holger ; Bharatam, Prasad V.
Reactive Metabolites from Thiazole-Containing Drugs: Quantum Chemical Insights into Biotransformation and Toxicity
Chemical Research in Toxicology 34, 1503-1517 (2021), 10.1021/acs.chemrestox.0c00450

Jan Martin Brockmann, Till Schubert, Wolf-Dieter Schuh
An Improved Model of the Earth’s Static Gravity Field Solely Derived from Reprocessed GOCE Data
Surveys in Geophysics 42, 277-316 (2021), 10.1007/s10712-020-09626-0

Kamel, Michael ; Löwe, Maryna ; Schott‐Verdugo, Stephan ; Gohlke, Holger ; Kedrov, Alexej
Unsaturated fatty acids augment protein transport via the SecA:SecYEG translocon
The FEBS Journal 289, 140-162 (2021), 10.1111/febs.16140

Kamlah, A W H ; Leveque, A ; Spurzem, R ; Arca Sedda, M ; Askar, A ; Banerjee, S ; Berczik, P ; Giersz, M ; Hurley, J ; Belloni, D ; Kühmichel, L ; Wang, L
Preparing the next gravitational million-body simulations: evolution of single and binary stars in Nbody6++GPU, MOCCA and McLuster
Monthly Notices of the Royal Astronomical Society 511, 4060-4089 (2021), 10.1093/mnras/stab3748

Klemenz, Andreas ; Mayrhofer, Leonhard ; Lenczowski, Blanka ; Moseler, Michael
Carbon nanotubes as fillers for composites with enhanced thermal conductivity
Physical Review Materials 5, (2021), 10.1103/PhysRevMaterials.5.086001

Knetsch, A. ; Sheeran, B. ; Boulton, L. ; Niknejadi, P. ; Põder, K. ; Schaper, L. ; Zeng, M. ; Bohlen, S. ; Boyle, G. ; Brümmer, T. ; Chappell, J. ; D’Arcy, R. ; Diederichs, S. ; Foster, B. ; Garland, M. J. ; Gonzalez Caminal, P. ; Hidding, B. ; Libov, V. ; Lindstrøm, C. A. ; Martinez de la Ossa, A. ; Meisel, M. ; Parikh, T. ; Schmidt, B. ; Schröder, S. ; Tauscher, G. ; Wesch, S. ; Winkler, P. ; Wood, J. C. ; Osterhoff, J.
Stable witness-beam formation in a beam-driven plasma cathode
Physical Review Accelerators and Beams 24, 043101 (2021), 10.1103/PhysRevAccelBeams.24.101302

Kordov, Z. R. ; Horsley, R. ; Kamleh, W. ; Koumi, Z. ; Nakamura, Y. ; Perlt, H. ; Rakow, P. E. L. ; Schierholz, G. ; Stüben, H. ; Young, R. D. ; Zanotti, J. M. ; CSSM/QCDSF/UKQCD Collaboration
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Torrance Hodgson, Iacopo Bartalucci, Melanie Johnston-Hollitt, Benjamin McKinley, Franco Vazza, Denis Wittor
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