Publications of NIC projects 2023

Agadjanov, A. ; Djukanovic, D. ; von Hippel, G. ; Meyer, H. B. ; Ottnad, K. ; Wittig, H.
Nucleon Sigma Terms with Nf = 2 + 1 Flavors of O(a)-Improved Wilson Fermions
Physical Review Letters 131, (2023), 10.1103/PhysRevLett.131.261902

Akhtar, Fatima ; Dabrowski, Jaroslaw ; Lukose, Rasuole ; Wenger, Christian ; Lukosius, Mindaugas
Chemical Vapor Deposition Growth of Graphene on 200 mm Ge(110)/Si Wafers and Ab Initio Analysis of Differences in Growth Mechanisms on Ge(110) and Ge(001)
ACS Applied Materials & Interfaces 15, 36966-36974 (2023), 10.1021/acsami.3c05860

Alexandrou, C. ; Bacchio, S. ; Dimopoulos, P. ; Finkenrath, J. ; Frezzotti, R. ; Gagliardi, G. ; Garofalo, M. ; Hadjiyiannakou, K. ; Kostrzewa, B. ; Jansen, K. ; Lubicz, V. ; Petschlies, M. ; Sanfilippo, F. ; Simula, S. ; Urbach, C. ; Wenger, U. ; Extended Twisted Mass Collaboration
Lattice calculation of the short and intermediate time-distance hadronic vacuum polarization contributions to the muon magnetic moment using twisted-mass fermions
Physical Review D 107, (2023), 10.1103/PhysRevD.107.074506

Alexandrou, C. ; Bacchio, S. ; Constantinou, M. ; Dimopoulos, P. ; Finkenrath, J. ; Frezzotti, R. ; Hadjiyiannakou, K. ; Jansen, K. ; Kostrzewa, B. ; Koutsou, G. ; Spanoudes, G. ; Urbach, C.
Moments of the nucleon transverse quark spin densities using lattice QCD
Physical Review D 107, (2023), 10.1103/PhysRevD.107.054504

Alexandrou, Constantia ; Bacchio, Simone ; De Santis, Alessandro ; Dimopoulos, Petros ; Finkenrath, Jacob ; Frezzotti, Roberto ; Gagliardi, Giuseppe ; Garofalo, Marco ; Hadjiyiannakou, Kyriakos ; Kostrzewa, Bartosz ; Jansen, Karl ; Lubicz, Vittorio ; Petschlies, Marcus ; Sanfilippo, Francesco ; Simula, Silvano ; Tantalo, Nazario ; Urbach, Carsten ; Wenger, Urs ; Extended Twisted Mass Collaboration (ETMC)
Probing the Energy-Smeared R Ratio Using Lattice QCD
Physical Review Letters 130, (2023), 10.1103/PhysRevLett.130.241901

Alexandrou, Constantia ; Bacchio, Simone ; Constantinou, Martha ; Dimopoulos, Petros ; Finkenrath, Jacob ; Frezzotti, Roberto ; Hadjiyiannakou, Kyriakos ; Jansen, Karl ; Kostrzewa, Bartosz ; Koutsou, Giannis ; Spanoudes, Gregoris ; Urbach, Carsten
Nucleon transverse quark spin densities
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) , (2023), 10.22323/1.430.0092

Athenodorou, Andreas ; Finkenrath, Jacob ; Lantos, Adam ; Teper, Michael
The glueball spectrum with $N_f=4$ light fermions
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) , (2023), 10.22323/1.430.0057

Bacchio, Simone ; Alexandrou, Constantia ; Dimopoulos, Petros ; Finkenrath, Jacob ; Frezzotti, Roberto ; Gagliardi, Giuseppe ; Garofalo, Marco ; Hadjiyiannakou, Kyriakos ; Kostrzewa, Bartosz ; Jansen, Karl ; Lubicz, Vittorio ; Petschlies, Marcus ; Sanfilippo, Francesco ; Simula, Silvano ; Urbach, Carsten ; Wenger, Urs
Disconnected contribution to the LO HVP term of muon g-2 from ETMC
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) , (2023), 10.22323/1.430.0303

Bali, Gunnar ; Bignell, Ryan ; Francis, Anthony ; Gottlieb, Steven ; Gupta, Rajan ; Kanamori, Issaku ; Kostrzewa, Bartosz ; Kotov, Andrey ; Kuramashi, Yoshinobu ; Mawhinney, Robert ; Schmidt, Christian ; Söldner, Wolfgang ; Sun, Peng
Lattice gauge ensembles and data management
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) 105, (2023), 10.22323/1.430.0203

Bali, Gunnar S. ; Collins, Sara ; Heybrock, Simon ; Löffler, Marius ; Rödl, Rudolf ; Söldner, Wolfgang ; Weishäupl, Simon ; RQCD Collaboration
Octet baryon isovector charges from Nf=2+1 lattice QCD
Physical Review D 108, 034512 (2023), 10.1103/PhysRevD.108.034512

Barca, Lorenzo ; Bali, Gunnar ; Collins, Sara
Toward N to Npi matrix elements from lattice QCD
Physical Review D 107, L051505 (2023), 10.1103/PhysRevD.107.L051505

Becker, Nina ; Frieg, Benedikt ; Gremer, Lothar ; Kupreichyk, Tatsiana ; Gardon, Luis ; Freiburg, Patrick ; Neudecker, Philipp ; Willbold, Dieter ; Gohlke, Holger ; Heise, Henrike
Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Aβ(1–42) Amyloid Fibrils
Journal of the American Chemical Society 145, 2161-2169 (2023), 10.1021/jacs.2c09231

Blagojevic, Niklas ; Müller, Marcus
Simulation of Membrane Fabrication via Solvent Evaporation and Nonsolvent-Induced Phase Separation
ACS Applied Materials & Interfaces , (2023), 10.1021/acsami.3c03126

Bode, M.
AI Super-Resolution: Application to Turbulence and Combustion
Lecture Notes in Energy , 279-305 (2023), 10.1007/978-3-031-16248-0_10

Borsányi, Szabolcs ; Fodor, Zoltán ; Giordano, Matteo ; Guenther, Jana N. ; Katz, Sándor D. ; Pásztor, Attila ; Wong, Chik Him
Equation of state of a hot-and-dense quark gluon plasma: Lattice simulations at real muB vs extrapolations
Physical Review D 107, (2023), 10.1103/PhysRevD.107.L091503

Buaria, Dhawal ; Sreenivasan, Katepalli R.
Forecasting small-scale dynamics of fluid turbulence using deep neural networks
Proceedings of the National Academy of Sciences 120, (2023), 10.1073/pnas.2305765120

Buaria, Dhawal ; Sreenivasan, Katepalli R.
Lagrangian acceleration and its Eulerian decompositions in fully developed turbulence
Physical Review Fluids 8, (2023), 10.1103/PhysRevFluids.8.L032601

Burri, Sebastian Andreas ; Kanwar, Gurtej ; Alexandrou, Constantia ; Bacchio, Simone ; Bergner, Georg ; Finkenrath, Jacob ; Gasbarro, Andrew ; Hadjiyiannakou, Kyriakos ; Jansen, Karl ; Kostrzewa, Bartosz ; Koutsou, Giannis ; Ottnad, Konstantin ; Petschlies, Marcus ; Pittler, Ferenc ; Steffens, Fernanda ; Urbach, Carsten ; Wenger, Urs
Pseudoscalar-pole contributions to the muon g-2 at the physical point
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) , (2023), 10.22323/1.430.0306

Chi, Cheng ; Thévenin, Dominique
DNS study on reactivity stratification with prechamber H2/air turbulent jet flame to enhance NH3/air combustion in gas engines
Fuel 347, 128387 (2023), 10.1016/j.fuel.2023.128387

Chi, Cheng ; Theisel, Holger ; Thévenin, Dominique
Interaction of a turbulent flame with the very-large-scale structures in a channel flow
European Journal of Mechanics - B/Fluids 101, 167-175 (2023), 10.1016/j.euromechflu.2023.05.008

Chmeruk, Artem ; Núñez-Valdez, Maribel
Anharmonic effects on the reflectivity of CaS and MgS: a first-principles based study
Applied Physics A 129, (2023), 10.1007/s00339-023-06742-7

Codrignani, Andrea ; Peeters, Stefan ; Holey, Hannes ; Stief, Franziska ; Savio, Daniele ; Pastewka, Lars ; Moras, Gianpietro ; Falk, Kerstin ; Moseler, Michael
Toward a continuum description of lubrication in highly pressurized nanometer-wide constrictions: The importance of accurate slip laws
Science Advances 9, (2023), 10.1126/sciadv.adi2649

Colliard-Granero, André ; Jitsev, Jenia ; Eikerling, Michael H. ; Malek, Kourosh ; Eslamibidgoli, Mohammad J.
UTILE-Gen: Automated Image Analysis in Nanoscience Using Synthetic Dataset Generator and Deep Learning
ACS Nanoscience Au 3, 398-407 (2023), 10.1021/acsnanoscienceau.3c00020

Contessi, Daniele ; Recati, Alessio ; Rizzi, Matteo
Phase diagram detection via Gaussian fitting of number probability distribution
Physical Review B 107, (2023), 10.1103/PhysRevB.107.L121403

Dreger, Max; Eslamibidgoli. Mohammad J.; Eikerling, Michael H.; Malek, Kourosh
Synergizing ontologies and graph databases for highly flexible materials-to-device workflow representations
Journal of Materials Informatics 3, (2023), 10.20517/jmi.2023.01

Grete, Philipp ; O’Shea, Brian W. ; Beckwith, Kris
As a Matter of Dynamical Range – Scale Dependent Energy Dynamics in MHD Turbulence
The Astrophysical Journal Letters 942, L34 (2023), 10.3847/2041-8213/acaea7

Harikrishnan, Abhishek ; Rodal, Marie ; Klein, Rupert ; Margerit, Daniel ; Vercauteren, Nikki
On the motion of hairpin filaments in the atmospheric boundary layer
Physics of Fluids 35, (2023), 10.1063/5.0151078

He, Zheng-Da ; Tesch, Rebekka ; Eslamibidgoli, Mohammad J. ; Eikerling, Michael H. ; Kowalski, Piotr M.
Low-spin state of Fe in Fe-doped NiOOH electrocatalysts
Nature Communications 14, (2023), 10.1038/s41467-023-38978-5

Hebeler, K. ; Durant, V. ; Hoppe, J. ; Heinz, M. ; Schwenk, A. ; Simonis, J. ; Tichai, A.
Normal ordering of three-nucleon interactions for ab initio calculations of heavy nuclei
Physical Review C 107, (2023), 10.1103/PhysRevC.107.024310

Jattana, Manpreet Singh ; Jin, Fengping ; De Raedt, Hans ; Michielsen, Kristel
Improved Variational Quantum Eigensolver Via Quasidynamical Evolution
Physical Review Applied 19, (2023), 10.1103/PhysRevApplied.19.024047

Joscha Mecke, Yongxiang Gao, Carlos A. Ramírez Medina, Dirk G.A.L. Aarts , Gerhard Gompper, Marisol Ripoll
Simultaneous emergence of active turbulence and odd viscosity in a colloidal chiral active system
Communication Physics 6, 324 (2023), 10.1038/s42005-023-01442-3

Kaiser, Jesko ; Gertzen, Christoph G.W. ; Bernauer, Tamara ; Höfner, Georg ; Niessen, Karin V. ; Seeger, Thomas ; Paintner, Franz F. ; Wanner, Klaus T. ; Worek, Franz ; Thiermann, Horst ; Gohlke, Holger
A novel binding site in the nicotinic acetylcholine receptor for MB327 can explain its allosteric modulation relevant for organophosphorus-poisoning treatment
Toxicology Letters 373, 160-171 (2023), 10.1016/j.toxlet.2022.11.018

Kiese, Dominik ; Ferrari, Francesco ; Astrakhantsev, Nikita ; Niggemann, Nils ; Ghosh, Pratyay ; Müller, Tobias ; Thomale, Ronny ; Neupert, Titus ; Reuther, Johannes ; Gingras, Michel J. P. ; Trebst, Simon ; Iqbal, Yasir
Pinch-points to half-moons and up in the stars: The kagome skymap
Physical Review Research 5, (2023), 10.1103/PhysRevResearch.5.L012025

Kirbus, Benjamin ; Tiedeck, Sofie ; Camplani, Andrea ; Chylik, Jan ; Crewell, Susanne ; Dahlke, Sandro ; Ebell, Kerstin ; Gorodetskaya, Irina ; Griesche, Hannes ; Handorf, Dörthe ; Höschel, Ines ; Lauer, Melanie ; Neggers, Roel ; Rückert, Janna ; Shupe, Matthew D. ; Spreen, Gunnar ; Walbröl, Andreas ; Wendisch, Manfred ; Rinke, Annette
Surface impacts and associated mechanisms of a moisture intrusion into the Arctic observed in mid-April 2020 during MOSAiC
Frontiers in Earth Science 11, (2023), 10.3389/feart.2023.1147848

Koehn, H. ; Just, A. ; Berczik, P. ; Tremmel, M.
Dynamics of supermassive black hole triples in the ROMULUS25 cosmological simulation
Astronomy & Astrophysics 678, A11 (2023), 10.1051/0004-6361/202347093

Kostrzewa, Bartosz ; Bacchio, Simone ; Finkenrath, Jacob ; Garofalo, Marco ; Pittler, Ferenc ; Romiti, Simone ; Urbach, Carsten ; ETM Collaboration
Twisted mass ensemble generation on GPU machines
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) , (2023), 10.22323/1.430.0340

Koutsou, Giannis ; Alexandrou, Constantia ; Bacchio, Simone ; Constantinou, Martha ; Finkenrath, Jacob ; Hadjiyiannakou, Kyriakos ; Jansen, Karl ; Spanoudes, Gregoris
Nucleon electromagnetic form factors using Nf=2+1+1 twisted mass fermion ensembles at the physical mass point
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) , (2023), 10.22323/1.430.0114

Lagemann, H. ; Willsch, D. ; Willsch, M. ; Jin, F. ; De Raedt, H. ; Michielsen, K.
Fragility of gate-error metrics in simulation models of flux-tunable transmon quantum computers
Physical Review A 108, (2023), 10.1103/PhysRevA.108.022604

Li, X. F. ; Weng, S. M. ; Gibbon, P. ; Ma, H. H. ; Yew, S. H. ; Liu, Z. ; Zhao, Y. ; Chen, M. ; Sheng, Z. M. ; Zhang, J.
Transition from backward to sideward stimulated Raman scattering with broadband lasers in plasmas
Matter and Radiation at Extremes 8, (2023), 10.1063/5.0152668

MacLucas, Timothy ; Klemenz, Andreas ; Grünewald, Patrick ; Presser, Volker ; Mayrhofer, Leonhard ; Moras, Gianpietro ; Suarez, Sebastian ; Dienwiebel, Martin ; Mücklich, Frank ; Moseler, Michael
Multiwall Carbon Nanotubes for Solid Lubrication of Highly Loaded Contacts
ACS Applied Nano Materials 6, 1755-1769 (2023), 10.1021/acsanm.2c04729

Marasco, Ramona ; Fusi, Marco ; Coscolín, Cristina ; Barozzi, Alan ; Almendral, David ; Bargiela, Rafael ; Nutschel, Christina Gohlke neé ; Pfleger, Christopher ; Dittrich, Jonas ; Gohlke, Holger ; Matesanz, Ruth ; Sanchez-Carrillo, Sergio ; Mapelli, Francesca ; Chernikova, Tatyana N. ; Golyshin, Peter N. ; Ferrer, Manuel ; Daffonchio, Daniele
Enzyme adaptation to habitat thermal legacy shapes the thermal plasticity of marine microbiomes
Nature Communications 14, (2023), 10.1038/s41467-023-36610-0

Mecke, Joscha ; Ripoll, Marisol
Birotor hydrodynamic microswimmers: From single to collective behaviour
Europhysics Letters 142, 27001 (2023), 10.1209/0295-5075/acc8f8

Mendes-Santos, Tiago ; Schmitt, Markus ; Heyl, Markus
Highly Resolved Spectral Functions of Two-Dimensional Systems with Neural Quantum States
Physical Review Letters 131, (2023), 10.1103/PhysRevLett.131.046501

Mtchedlidze, Salome ; Domínguez-Fernández, Paola ; Du, Xiaolong ; Schmidt, Wolfram ; Brandenburg, Axel ; Niemeyer, Jens ; Kahniashvili, Tina
Inflationary and Phase-transitional Primordial Magnetic Fields in Galaxy Clusters
The Astrophysical Journal 944, 100 (2023), 10.3847/1538-4357/acb04d

O’Sullivan, S P ; Shimwell, T W ; Hardcastle, M J ; Tasse, C ; Heald, G ; Carretti, E ; Brüggen, M ; Vacca, V ; Sobey, C ; Van Eck, C L ; Horellou, C ; Beck, R ; Bilicki, M ; Bourke, S ; Botteon, A ; Croston, J H ; Drabent, A ; Duncan, K ; Heesen, V ; Ideguchi, S ; Kirwan, M ; Lawlor, L ; Mingo, B ; Nikiel-Wroczyński, B ; Piotrowska, J ; Scaife, A M M ; van Weeren, R J
The Faraday Rotation Measure Grid of the LOFAR Two-metre Sky Survey: Data Release 2
Monthly Notices of the Royal Astronomical Society 519, 5723-5742 (2023), 10.1093/mnras/stac3820

Petrak, Pia Leonie Jones ; Bali, Gunnar ; Collins, Sara ; Heitger, Jochen ; Jenkins, Daniel ; Weishäupl, Simon
Sigma terms of the baryon octet in Nf=2+1 QCD with Wilson quarks
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) , 112 (2023), 10.22323/1.430.0112

Pittler, Ferenc ; Alexandrou, Constantia ; Bacchio, Simone ; Koutsou, Giannis ; Paul, Srijit ; Petschlies, Marcus
Pion nucleon excited state effects in nucleon observables
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) , (2023), 10.22323/1.430.0120

Reh, Moritz ; Schmitt, Markus ; Gärttner, Martin
Optimizing design choices for neural quantum states
Physical Review B 107, (2023), 10.1103/PhysRevB.107.195115

Röpke, Friedrich K. ; Lach, Florian ; Gronow, Sabrina ; Sim, Stuart A. ; Callan, Fionntan P. ; Collins, Christine E.
Modeling Type Ia supernovae with explosions in white dwarfs near and below the Chandrasekhar mass
The Sixteenth Marcel Grossmann Meeting , (2023), 10.1142/9789811269776_0373

Salg, Miguel ; Djukanovic, Dalibor ; von Hippel, Georg ; Meyer, Harvey B. ; Ottnad, Konstantin ; Wittig, Hartmut
Proton and neutron electromagnetic radii and magnetic moments from N_f = 2 + 1 lattice QCD
Proceedings of The 40th International Symposium on Lattice Field Theory — PoS(LATTICE2023) , (2023), 10.22323/1.453.0317

Samoilenko, D ; Hillert, W ; Pannek, F ; Ackermann, S ; Ferrari, E ; Mirian, N ; Niknejadi, P ; Paraskaki, G ; Schaper, L ; Curbis, F ; Pop, M ; Werin, S
Sensitivity of EEHG simulations to dynamic beam parameters
Journal of Physics: Conference Series 2420, 012024 (2023), 10.1088/1742-6596/2420/1/012024

Segner, Alexander ; Hanlon, Andrew ; Risch, Andreas ; Wittig, Hartmut
Setting the Scale Using Baryon Masses with Isospin-Breaking Corrections
Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) , (2023), 10.22323/1.430.0084

Shen, X F ; Pukhov, A ; Qiao, B
Electron and ion acceleration from femtosecond laser-plasma peeler scheme
Plasma Physics and Controlled Fusion 65, 034005 (2023), 10.1088/1361-6587/acb4e6

Sundmacher, Kai ; Thévenin, Dominique
Direct numerical simulations of polypropylene gasification in supercritical water
Physics of Fluids 35, (2023), 10.1063/5.0155831

Szczefanowicz, Bartosz ; Kuwahara, Takuya ; Filleter, Tobin ; Klemenz, Andreas ; Mayrhofer, Leonhard ; Bennewitz, Roland ; Moseler, Michael
Formation of intermittent covalent bonds at high contact pressure limits superlow friction on epitaxial graphene
Physical Review Research 5, (2023), 10.1103/PhysRevResearch.5.L012049

The RQCD collaboration ; Bali, Gunnar S. ; Collins, Sara ; Georg, Peter ; Jenkins, Daniel ; Korcyl, Piotr ; Schäfer, Andreas ; Scholz, Enno E. ; Simeth, Jakob ; Söldner, Wolfgang ; Weishäupl, Simon
Scale setting and the light baryon spectrum in Nf = 2 + 1 QCD with Wilson fermions
Journal of High Energy Physics 2023, 035 (2023), 10.1007/JHEP05(2023)035

Ulybyshev, Maksim ; Winterowd, Christopher ; Assaad, Fakher ; Zafeiropoulos, Savvas
Instanton gas approach to the Hubbard model
Physical Review B 107, (2023), 10.1103/PhysRevB.107.045143

van der Weg, Karel J ; Gohlke, Holger
TopEnzyme: a framework and database for structural coverage of the functional enzyme space
Bioinformatics 39, (2023), 10.1093/bioinformatics/btad116

Walter, Michael ; Linsler, Dominic ; König, Tobias ; Gäbert, Chris ; Reinicke, Stefan ; Moseler, Michael ; Mayrhofer, Leonhard
Mechanochemical Activation of Anthracene [4+4] Cycloadducts
The Journal of Physical Chemistry Letters 14, 1445-1451 (2023), 10.1021/acs.jpclett.2c03493

Weissenfeld, Felix ; Wesenberg, Lucia ; Nakahata, Masaki ; Müller, Marcus ; Tanaka, Motomu
Modulation of wetting of stimulus responsive polymer brushes by lipid vesicles: experiments and simulations
Soft Matter 19, 2491-2504 (2023), 10.1039/D2SM01673G

Last Modified: 20.03.2023