User Research Publications 2023

The following is a list of selected peer-reviewed publications by users of HLRS's computing systems in 2023. All publications acknowledge HLRS's computing systems in making the research they describe possible.

132. Beck A, Kurz M. 2023. Toward discretization-consistent closure schemes for large eddy simulation using reinforcement learning. Phys Fluids. 35: 125122.

131. Mulone A, Awad S, Chiarugi D, Aldinucci M. 2023. Porting the variant calling pipeline for NGS data in a cloud-HPC environment. 2023 IEEE 47th Annual Computers, Software, and Applications Conference COMPSAC.

130. Potyka J, Schulte K, Planchette C. 2023. Liquid distribution after head-on separation of two colliding immiscible liquid droplets. Phys Fluids. 35: 102125.

129. Garcia-Comas M, Funke B, Lopez-Puertas M, et al. 2023. Version 8 IMK-IAA MIPAS temperatures from 12-14 µm spectra: middle and upper atmosphere modes. Atmos Measurement Techniques. 16(21): 5357-5386.

128. Fortuni F, Merlin E, Fontana A, et al. 2023. FORECAST: a flexible software to forward model cosmological hydrodynamical simulations mimicking real observations. Astron Astrophys. 677: A102.

127. Long F, Ghorbani-Asl M, Mosina K, et al. 2023. Ferromagnetic interlayer coupling in CrSBr crystals irradiated by ions. Nano Lett. 23(18): 8468-8473.

126. Grauer M, Behar E. 2023. Absorption of gamma-ray burst x-ray afterglows by the missing baryons: confronting observations with the cosmological simulations. Astrophys J. 953: 158.

125. Lewis JSW, Pillepich A, Nelson D, et al. 2023. The signature of galaxy formation models in the power spectrum of the hydrogen 21cm line during reionization. Mon Not R Astron Soc. ePub Dec 19.

124. Ramesh R, Nelson D, Heesen V, Brüggen M. 2023. Azimuthal anisoptropy of magnetic fields in the circumgalactic medium driven by galactic feedback processes. Mon Not R Astron Soc. 526(4): 5483-5493.                                                                                       

123. Suni J, Palmroth M, Turc L, et al. 2023. Local bow schock environment during magnetosheath jet formation: results from a hybrid Vlasov simulation. Annales Geophys. 41(2): 551-568.

122. Ryu T, Krolik J, Piran T, et al. 2023. Shocks power tidal disruption events. Astrophys J. 957: 12.

121. Sheina V, Lang G, Stolyarov V, et al. 2023. Hydrogenic spin-valley states of the bromine donor in 2H-MoTe2. Communications Phys. 6: 135.

120. Bui MN, Rost S, Auge M, et al. 2023. Optical properties of MoSe2 monolayer implanted with ultra-low-energy Cr ions. ACS Appl Mater Interfaces. 15(29): 35321-35331.

119. Owen E, Han Q, Wu K. 2023. Effects of large-scale magnetic fields on the observed composition of ultrahigh-energy cosmic rays. Phys Rev D. 103027.

118. Markin I, Neuweiler A, Abac A, et al. 2023. General-relativistic hydrodynamics simulation of a neutron star–sub-solar-mass black hole merger. Phys Rev D. 108: 064025.

117. Prather BS, Dexter J, Moscibrodzka M, et al. 2023. Comparison of polarized radiative transfer codes used by the EHT collaboration. Astrophys J. 950: 35.

116. Rose H, Kunert N, Dietrich T, et al. 2023. Revealing the strength of three-nucleon interactions with the proposed Einstein Telescope. Phys Rev C. 108: 025811.

115. Seel F, Lutz T, Krämer E. 2023. Numerical study of the unsteady blade root aerodynamics of a 2 MW wind turbine equipped with vortex generators. Wind Energ Sci. 8: 1369-1385.

114. Kleinert J, Ehrle M, Waldmann A, Lutz T. 2023. Wake tail plane interactions for a tandem wing configuration in high-speed stall conditions. CEAS Aeronautical J. ePub Jun 14.

113. Grandin M, Luttikhuis T, Battarbee M, et al. 2023. First 3D hybrid-Vlasov global simulation of auroral proton precipitation and comparison with satellite observations. J Space Weather Space Clim. 13: 20.

112. Agadjanov A, Djukanovic D, von Hippel G, et al. 2023. Nucleon sigma terms with Nf = 2 + 1 flavors of O(a)-improved Wilson fermions. Phys Rev Lett. 131: 261902.

111. Bocchini A, Xie Y, Schmidt WG, Gerstmann U. 2023. Structural and electrochemical properties of F-doped RbTiOPO4 (RTP:F) predicted from first principles. Crystals. 14(1): 5.

110. Storm A, Köster J, Ghorbani-Asl M, et al. 2023. Structural transformations in few-layer MnPS3 stimulated by thermal annealing and electron irradiation. J Phys Chem C. 127(51): 24713-24723.

109. Li Y, Ries F, Sun Y, et al. 2023. Direct numerical simulation of atomization characteristics of ECN spray-G injector: in-nozzle fluid flow and breakup processes. Flow Turbul Combust. ePub Dec 15.

108. Köster J, Kretschmer S, Storm A, et al. 2023. Phase transformations in single-layer MoTe2 stimulated by electron irradiation and annealing. Nanotechnology. ePub Dec 14.

107. Settanni G. 2023. Computational approaches to lipid-based nucleic acid delivery systems. Eur Phys J E. 46: 127.

106. Mpisketzis V, Duqué R, Nathanail, et al. 2023. Impact of anisotropic ejecta on jet dynamics and afterglow emission in binary neutron-star mergers. Mon Not R Astron Soc. ePub Dec 6.

105. Liu Q, Lin YC, Kretschmer S, et al. 2023. Molybdenum chloride nanostructures with giant lattice distortions intercalated into bilayer graphene. ACS Nano, ePub Nov 26.

104. Ramaswamy DP, Sebastian R, Schreyer AM. 2023. Effects of jet-injection-pipe length on the flow-control effectiveness of spanwise-inclined jets in supersonic crossflow. Phys Rev Fluids. 8: 113902.

103. García-Comas M, Funke B, López-Puertas M, et al. 2023. Version 8 IMK-IAA MIPAS temperatures from 12-15 µm spectra: Middle and upper atmosphere modes. Atmos Measurement Techniques. 16: 5357-5386.

102. Meller D, Engelmann L, Baik S-J, Kempf AM. 2023. A four mixture fraction FPV-LES for the co-firing of coal and ammonia. In Marchioli C, Salvetti MV, Garcia-Villalba M, Schlatter P, eds. Direct and Large Eddy Simulation XIII. DLES 2023. ERCOFTAC Series, vol. 31. Springer.

101. Mace EJ, Vrabec J. 2023. High-pressure fluid-phase equilibria and Henry’s constants of supercritical gases in ammonia. J Chem Eng Data. ePub Oct 2.

100. Knodel MM, Nägel A, Herrmann E, Wittum G. 2023. PDE models of virus replication coupling 2D manifold and 3D volume effects evaluated at realistic reconstructed cell geometries. In: Franck E, Fuhrmann J, Michel-Dansac V, Navoret L, eds. Finite Volumes for Complex Applications X—Volume 1, Elliptic and Parabolic Problems. FVCA 2023. Springer Proceedings in Mathematics & Statistics, vol 432. 

99. Zvejnieks G, Mastrikov Y, Gryaznov D. 2023. Jahn–Teller distortion in Sr2FeO4: group-theoretical analysis and hybrid DFT calculations. Sci Rep. 13: 16446.

98. Saric D, Guevara-Carrion G, Gaponenko Y, et al. 2023. Diffusion of hydrocarbons diluted in supercritical carbon dioxide. Sci Rep. 13: 16107.

97. Sebastian R, Schreyer AM. 2023. Forced injection of a spanwise-inclined jet in supersonic crossflow. AIAA J. ePub Sep 25.

96. Seiz M, Hierl H, Nestler B. 2023. Unravelling densification during sintering by multiscale modelling of grain motion. J Mater Sci. 58: 14051-14071.

95. Singh E, Pionteck MN, Reitzig S, et al. 2023. Vibrational properties of LiNbO3 and LiTaO3 under uniaxial stress. Phys Rev Materials 7: 024420.

94. Mallor F, Semprini-Cesari G, Mukha T, et al. 2023. Bayesian optimization of wall-normal blowing and suction-based flow control of a NACA 4412 wing profile. Flow Turbul Combust. ePub Sep 5.

93. Kromer J, Potyka J, Schulte K, Bothe D. 2023. Efficient sequential PLIC interface positioning for enhanced performance of the three-phase VoF method. Comput Fluids. ePub Sep 1.

92. Bromley SJ, McCann M, Loch SD, Ballance CP. 2023. Electron-impact excitation of Pt I–III: the importance of metastable and collision processes in neutron star merger and laboratory plasmas. Astrophys J Suppl Series. 268(1): 22.

91. Rist U, Weinschenk M, Wenzel C. 2023. Investigation of Lagrangian areas of minimal stretching (LAMS) in a turbulent boundary layer. J Fluid Mechan. 970, A31.

90. Pfeiffer M, Beyer J, Vaubaillon J, et al. 2023. Numerical simulation of an iron meteoroid entering into earth’s atmosphere using DSMC and a radiation solver with comparison to ground testing data. Icarus. 115768.

89. Subakti S, Daquqshirazi M, Wolf D, et al. 2023. Electron holographic mapping of structural reconstrucion at mono- and bilayer steps of h– BN. Phys Rev Res. 5: 033137.

88. Marx J, Kohns M, Langenbach K. 2023. Co-oriented fluid functional equation for electrostatic interactions (COFFEE) for mixtures: molecular orientations. J Chem Eng Data. ePub Aug 25.

87. Grauer M, Behar E. 2023. Absorption of gamma-ray burst x-ray afterglows by the missing baryons: confronting observations with cosmological simulations. Astrophys J. 953: 158.

86. Liu Y, Wang W, Yang G, et al. 2023. The interfacial modes and modal causality in a dispersed bubbly turbulent flow. Phys Fluids. 35: 083309.

85. Bashir U, Böttcher K, Klimm D, et al. 2023. Solid solutions of lithium niobite and lithium tantalate: crystal growth and the ferroelectric transition. Ferroelectrics. 613: 250-262.

84. Sotillo-Ramos D, Bergemann M, Friske JKS, Pillepich A. 2023. On the likelihoods of finding very meal-poor (and old) stars in the Milky Way’s disc, bulge, and halo. Mon Not R Astron Soc: Lett. ePub Jul 27.

83. Kellers B, Lautenschlaeger MP, Rigos N, et al. 2023. Systematic workflow for efficient identification of local representative elementary volumes demonstrated with lithim-ion battery cathode microstructures. Batteries 9(7): 390.

82. Gao M, Appel D, Beck A, Munz CD. 2023. A high-order fluid–structure interaction framework with application to shock-wave/turbulent boundary-layer interaction over an elastic panel. J Fluids Structures. 121: 103950.

81. Blind MP, Kleinert J, Lutz T, Beck A. 2023. A time-accurate inflow coupling for zonal LES. CEAS Aeronaut J. ePub March 9.

80. Ruiz Alvarado IA, Zare Pour MA, Hannapel T, Schmidt WG. 2023. Structural fingerprints in the reflectance anisoptropy of AllnP(001). Phys Rev B. 108: 045410.

79. Palmroth M, Pulkkinen TI, Ganse U, et al. 2023. Magnetotail plasma eruptions driven by magnetic reconnection and kinetic instabilities. Nat Geosci. 16: 570-576.

78. Caldas A, Feldmann H, Lucio-Eceiza E, Pinto JG. 2023. Convection-parameterized and convection-permitting modelling of heavy precipitation in decadal simulations of the greater Alpine region with COSMO-CLM. Weather Clim Dynam. 4: 543-565.

77. Badalov SV, Bocchini A, Wilhelm R, et al. 2023. Rutile, anatase, brookite and titania thin film from Hubbard corrected and hybrid DFT. Mater Res Express. 10: 075501.

76. Nitzke I, Vrabec J. 2023. Numerical discrimimation of thermodynamic Monte Carlo simulations in all eight statistical ensembles. J Chem Theory Comput. 19(12): 3460-3468.

75. Chepkasov IV, Krashneninnikov AV. 2023. Tetracene crystals as promising anode material for alkali metal ion batteries. Carbon 213: 118190.

74. Seiz M, Kellner M, Nestler B. 2023. Simulation of dendritic–eutectic growth with the phase-field method. Acta Mater. 254: 118965.

73. Grandin M, Connor HK, Hoilijoki S, et al. 2023. Hybrid-Vlasov simulation of soft X-ray emissions at the Earth’s dayside magnetospheric boundaries. Earth Planetary Phys.

72. Seiz M, Hierl H, Nestler B. 2023. An improved grand-potential phase-field model of solid-state sintering for many particles. Modelling Simul Mater Sci Eng. 31: 055006.

71. Saeed MS, Gugliuzza JMJ, Leibl M, et al. 2023. Parameter study and optimization of forming simlations for tape-based fiber layups. In: Kiefl N, Wulle F, Ackermann C, Holder D, eds. Advances in Automotive Production Technology – Towards Software-Defined Manufacturing and Resilient Supply Chains. SCAP 2022. ARENA2036. Springer.

70. Sebastian R, Ramaswamy DP, Schreyer AM. 2023. Spanwise-inclined jets in supersonic crossflow: effects of injection pressure and separation-control effectiveness. AIAA J. ePub Jun 5.

69. Homes S, Heinen M, Vrabec J. 2023. Influence of molecular anisotropy and quadrupolar moment on evaporation. Phys Fluids. 35: 052111.

68. Engler C, Pillepich A, Joshi GD, et al. 2023. Satellites of Milky Way and M31-like galaxies with TNG50: quenched fractions, gas content, and star formation histories. Mon Not R Astron Soc. ePub May 8.

67. Wenz F, Maas O, Arnold M, et al. 2023. Assessment of low-frequency aeroacoustic emissions of a wind turbine under rapidly changing wind conditions based on an aero-servo-elastic CFD simulation. Wind Energy. ePub May 1.

66. Walzer U, Hendel R. 2023. Natural climate change and glaciations. Earth Sci Rev. ePub Apr 29.

65. Funke B, Garcia-Cosmas M, Glatthor N, et al. 2023. Michelson interferometer for passive atmospheric sounding Intsitute of Meterology and Climate Research/Instituto de Astrofisica de Andalucia version 8 retrieval of nitric oxide and lower-thermospheric temperature. Atmos Meas Tech. 16(8): 2167-2196.

64. Wenzel P, Radgen P. 2023. Extending effectiveness to efficiency: comparing energy and environmental assessment methods for a wet cooling tower. J Indust Ecol.

63. Nelson D, Byrohl C, Ogorzalek A, et al. 2023. Resonant scattering of the OVII X-ray emission line in the circumgalactic medium of TNG50 galaxies. Mon Not R Astron Soc. 522(3): 3665-3678.

62. Ganse U, Koskela T, Battarbee M, et al. 2023. Enabling technology for global 3D + 3V hybrid-Vlasov simulations of near-Earth space. Phys Plasmas. 30: 042902.

61. Carbonio EA, Sulzmann F, Klyzshin AY, et al. 2023. Adjusting the chemical reactivity of oxygen for propylene epoxidation on silver by rational design: the use of an oxyanion and Cl. ACS Catal. 13: 5906-5913.

60. Sofieva VF, Szelag M, Tamminen, et al. 2023. Updated merged SAGE-CCI-OMPS+ dataset fort he evaluation of ozone trends in the stratosphere. Atmos Meas Tech. 16(7): 1881-1899.

59. Feichi Z, Wachter S, Zirwes T, et al. 2023. Effect of nozzle upscaling on coaxial, gas-assisted atomization. Phys Fluids 35: 043302.

58. Schaefer D, Kohns M, Hasse H. 2023. Molecular modeling and simulation of aqueous solutions of alkali nitrates. J Chem Phys. 158: 134508.

57. Schaefer D, Kohns M. 2023. Molecular dynamics study of ion clustering in concentrated electrolyte solutions fort he estimation of salt solubilities. Fluid Phase Equilibr. 571: 113802.

56. Agadjanov A, Djukanovic D, von Hippel G, et al. 2023. The pion-nucleon sigma term with Nf = 2 + 1 O(a)-improved Wilson fermions. Proceedings of the 39th International Symposium on Lattice Field Theory, 9th-13thAugust 2022.

55. Ohno D, Greiner M, Müller J, Rist U. 2023. Numerical investigations of laminar separation bubbles under the influence of periodic gusts. AIAA J. ePub Mar 16.

54. Li J, Ghorbani-Asl M, Lasek K, et al. 2023. A van der Waals Heterostructure with an electronically textures moire pattern: PtSe2/PtTE2. ACS Nano 17(6): 5913-5920.

53. Wollny P, Engelmann L, Loewenich M, et al. 2023. The role of phase transition by inception and surface reactions for the synthesis of silicon nanoparticles in a hot-wall reactor — simulation and experiment. Chem Eng J. ePub Mar 9.

52. Meller D, Engelmann L, Stein OT, Kempf AM. 2023. Exhaust gas recirculation (EGR) analysis of a swirl-stabilized pulverized coal flame with focus on NOx release using FPV-LES. Fuel 343: 127939.

51. Chabanov M, Tootle SD, Most ER, Rezzolla L. 2023. Crustal magnetic fields do not lead to large magnetic-field amplifications in binary neutron star mergers. Astrophys J Lett. 945 (1): L14.

50. Pohl S, Fingerhut R, Thol M, et al.  2023. Equation of state for the Mie (λr,6) fluid with a repulsive exponent from 11 to 13. J Chem Phys. 158: 084506.

49. Mäteling E, Albers M, Schröder W. 2023. How spanwise travelling transversal surface waves change the near-wall flow. J Fluid Mechan. 957: ePub Feb 23.

48. Barnowsky T, Krasheninnikov AV, Friedrich R. 2023. A new group of 2D non-van der Waals materials with ultra low exfoliation energies. Adv Electron Mater. 2201112.

47. Storm A, Köster J, Ghorbani-Asl M, et al. 2023. Electron-beam- and thermal-annealing-induced structural transformations in few-layer MnPS3. ACS Nano. ePub Feb 20.

46. Meringolo C, Cruz-Osorio A, Rezzolla L, Vervidio S. 2023. Microphysical plasma relations from special-relativistic turbulence. ApJ. 94(2): 122.

45. Klimach H, Masilamani K, Roller S. 2023. Exploiting hybrid parallelism in the LBM implementation of Musubi on Hawk. In: Resch MM, Gebert J, Kobayashi H, Bez W, eds. Sustained Simulation Performance 2021. Springer.

44. Schuchart J, Bosilca G. 2023. MPI Continuations and how to invoke them. In: Resch MM, Gebert J, Kobayashi H, Bez W, eds. Sustained Simulation Performance 2021. Springer.

43. Skopinski L, Kretschmer S, Ernst P, et al. 2023. Velocity distributions of particles sputtered from supported two-dimensional MoS2 during highly charged ion irradiation. Phys Rev B. 107: 075418.

42. Guenther JN, Borsanyi S, Fodor Z, et al. 2023. Resummed lattice QCD equation of state at finite baryon density: strangeness neutrality and beyond. 39th International Symposium on Lattice Field Theory, LATTICE 2022 8th-13th August, 2022 Bonn, Germany.

41. Paul S, Hanlon AD, Hörz B, et al. 2023. The long-distance behavior of the vector-vector correlator from (pi)(pi) scattering. 39th International Symposium on Lattice Field Theory, LATTICE 2022 8th-13th August, 2022 Bonn, Germany.

40. Blind MP, Kahraman AB, Larsson J, Beck A. 2023. Residual estimation for grid modification in wall-modeled large eddy simulation using unstructured high-order methods. Comput Fluids. 254: 105796.

39. Schäfer T, Joerger AC, Spencer J, et al. 2023. Ligand-induced protein stabilization and enhanced molecular dynamics sampling techniques. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

38. Cè M, Chao EH, Gérardin A, et al. 2023. Hadronic contributions to the anomalous magnetic moment of the muon from Lattice QCD. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

37. Lode AUJ, Alon OE, Arnold J, et al. 2023. Quantum simulators, phase transitions, resonant tunneling, and variances: a many-body perspective. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

36. Oelschläger F, Klein D, Müller S, Roth J. 2023. Molecular dynamics simulation of selective laser melting. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

35. Verestek W, Kaiser J, Bonten C, Schmauder S. 2023. Molecular dynamics investigations on the influence of solutes on the tensile behavior of Polyamide6. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

34. Pionteck MN, Bernhardt F, Bilk J. 2023. Dynamical properties of the Si(553)-Au nanowire system. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

33. Pieck F, Luy JN, Kreuter F, et al. 2023. Reactivity of organic molecules on semiconductor surfaces revealed by density functional theory. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

32. Jones T. 2023. Electro-catalysis for H2O oxidation. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

31. Kretschmer S, Joseph T, Ghaderzadeh S, et al. 2023. Production of defects in two-dimensional materials under ion and electron irradiation: insights from advanced first-principles calculations annual report on ‘Bundesprojekt’ ACID 44172 (Def-2-Dim). In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

30. Schoof E, Mittnacht T, Seiz M, et al. 2023. High-performance multiphase-field simulations of solid-state phase transformations using Pace3D. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

29. Maier B, Schneider D, Schulte M, Uekermann B. 2023. Bridging scales with volume coupling — Scalable simulations of muscle contraction and electromyography. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

28. Borgelt J, Hösgen T, Meinke M, Schröder W. 2023. Analysis of the hot gas ingress into the wheel space of an axial turbine stage. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

27. Ohno D, Selent B, Kloker MJ, Rist U. 2023. Direct numerical simulation of bypass transition under free-stream turbulence for compressible flows. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

26. Schlottke A, Ibach M, Steigerwald J, Weigand B. 2023. Direct numerical simulation of a disintegrating liquid rivulet at a trailing edge. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

25. Seibold F, Weigand B. 2023. Numerical investigation of the flow and heat transfer in convergent swirl chambers. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

24. Wellinger P, Weigand B. 2023. On the validity of the linear Boussinesq hypothesis for selected internal cooling features of gas turbine blades. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

23. Kempf D, Gao M, Beck A, et al. 2023. Development of turbulent inflow methods for the high order HPC framework FLEXI. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

22. Appel D, Jöns S, Keim J, et al. 2023. A narrow band-based dynamic load balancing scheme for the level-set ghost-fluid method. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

21. Ye Q, Dreher M, Shen B. 2023. Numerical simulation of flake orientation during droplet impact on substrates in spray painting processes. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

20. Denev JA, Zirwes T, Zhang F, Bockhorn H. 2023. A low-pass filter for linear forcing in the open-source code OpenFOAM – Implementation and numerical performance. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

19. Wack J, Zorn M, Riedelbauch S. 2023. Numerical simulation of vortex induced pressure fluctuations in the runner of a Francis turbine at deep part load conditions. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

18. Schollenberger M, Beckers MF, Lutz T. 2023. Validation of ACD and ACL propeller simulation using blade element method based on airfoil characteristics. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

17. Schneider M, Ertl B, Diekmann C, Khosrawi F. 2023. The HPC project GLOMIR+ (GLObal MUSICA IASI Retrievals - plus). In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

16. Kiefer M, Funke B, García-Comas M. 2023. Global long-term MIPAS data processing. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

15. Bauer HS, Schwitalla T, Branch O, Thundathil R. 2023. WRF simulations to investigate processes across scales (WRFSCALE). In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

14. Neumann P, Wittmer N, Jafari V, et al. 2023. Dynamic molecular dynamics ensembles for multiscale simulation coupling. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

13. Hespe D, Hübner L, Hübschle-Schneider L, et al. 2023. Scalable discrete algorithms for big data applications. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

12. Buijse R, Parnet M, Nägel A. 2023. Large scale simulations of partial differential equation models on the Hawk supercomputer. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

11. Homes S, Fingerhut R, Guevara-Carrion G, et al. 2023. Scaling in the context of molecular dynamics simulations with ms2 and ls1 mardyn. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

10. Pinzon J, Siebenborn M, Vogel A. 2023. Scalable multigrid algorithm for fluid dynamic shape optimization. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

9. Schwagerus A, Habisreuther P, Zarzalis N. 2023. Numerical calculation of the lean-blow-out in a multi-jet burner. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

8. Depta PN, Dosta M, Heinrich S. 2023. Data-driven multiscale modeling of self-assembly and hierarchical structural formation in biological macro-molecular systems. In: Nägel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’21. Springer.

7. Sabater E, Solà M, Salvador P, Andrala DM. 2023. Cage-size effects on the encapsulation of P2 by fullerenes. Comput Chem. 44(3): 268-277.

6. Marx J, Kohns M, Langenbach K. 2023. Vapor-liquid equilibria of binary mixtures containing Stockmayer-type model fluids from Monte-Carlo simulations. Fluid Phase Equilibr. 568: 113742.

5. Pathirage V, Lasek K, Krasheninnikov AV, et al. 2023. Mirror twin boundaries in WSe2 induced by vanadium doping. Mater Today Nano. 22: 100314.

4. Ujevic M, Gieg H, Schianchi F, et al. 2023. Reverse phase transitions in binary neutron-star systems with exotic-matter cores. Phys Rev D. 107: 024025.

3. Meier L, Schmidt WG. 2023. Adsorption of cyclic (alkyl) (amino) carbenes on monohydride Si(001) surfaces: interface bonding and electronic properties. J Phys Chem C. 127(4): 1973-1980.

2. Gondrum M, Satcunanathan S, Niemöller A, et al. 2023. A direct-hybrid CFD/CAA method based on lattice Boltzmann and acoustic perturbation equations. Acta Acust. 7(5).

1. Knodel MM, Di Stefano S, Nägel A, Grillo A. 2022. An efficient algorithm for biomechanical problems based on a fully implicit nested Newton solver. Theor Appl. 49(2): 183-221