The following is a list of selected peer-reviewed publications by users of HLRS's computing systems. All publications acknowledge HLRS's computing systems in making the research they describe possible.
This list may not be comprehensive and will be updated periodically to provide information about recent scientific research by users of HLRS's systems.
63. Groll M, Bürger J, Caltzidis I, et al. 2024. DFT-assisted investigation of the electric field and charge density distribution of pristine and defective 2D WSe2 by differential phase contrast imaging. Small. 2311635.
62. Schubert S, Steigerwald J, Geppert AK, et al. 2024. Micro-PIV study on the influence of viscosity on the dynamics of droplet impact onto a thin film. Exp Fluids. 65: 69.
61. Rodekamp M, Engelhardt M, Green JR, et al. 2024. Moments of nucleon unpolarized, polarized and transversity patron distribution functions from lattice QCD at the physical point. Phys Rev D. 109: 074508.
60. Dietrich T, Biswas P, Brügmann B, et al. 2024. Simulating binary neutron star mergers. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 5-18.
59. Chabanov M, Cruz-Osorio A, Ecker C, et al. 2024. Microphysical aspects of binary neutron star mergers. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 19-34.
58. Albanesi S, Bernuzzi S, Daszuta B, et al. 2024. INTRHYGUE: Simulations of hyperbolic binary black-hole mergers. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 35-48.
57. Settanni G, Schmid F. 2024. Molecular dynamics simulations of the structure of lipid-based nanomaterials. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 49-51.
56. Lode AUJ, Alon OE, Bhowmik A, et al. 2024. Correlations, shapes and fragmentations of ultracold matter. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 63-75.
55. Borsanyi S, Fodor Z, Günther J, et al. 2024. Bulk features of the quark gluon plasma at finite density. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 77-86.
54. Jones T. 2024. Electro-catalysis for H2O oxidation and chlorine evolution. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 89-100.
53. Mondal B, Khan RU, Kreuter F, et al. 2024. Organic functionalization on solid surfaces. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 101-113.
52. Krenz M, Bocchini A, Biktagirov T, et al. 2024. Polaron formation dynamics in lithium niobite from massively parallel ab-initio simulations. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 115-127.
51. Pionteck MN, Bernhardt F, Dues C, et al. 2024. Hyperpolarizabilities of LiNbO3, LiTaO3 and KNbO3 calculated from first principles. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 129-143.
50. Peter JMF, Gibis T, Kloker MJ. 2024. Favorable-pressure-gradient influence on supersonic film cooling with turbulent main flow. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 167-182.
49. Chu X, Wang W, Weigand B. 2024. An investigation of information flux between turbulent boundary layer and porous medium. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 183-196.
48. Potyka J, Stober J, Wurst J, et al. 2024. Towards DNS of droplet-jet collisions of immiscible liquids with FS3D. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 197-212.
47. Ullah J, Hillebrand M, Ehrle M, et al. 2024. On the effects of wing-gust interactions and wing flap deflections on the HTP aerodynamics. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 213-232.
46. Blind M, Kopper P, Kempf D, et al. 2024. Performance improvements for large simulations using the discontinuous Galerkin framework FLEXI. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 249-264.
45. Genuit F, Keßler M, Krämer E. 2024. Applications of a discontinuous Galerkin chimera method on 3D flow problems. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 265-280.
44. Feldmann H, Hundhausen M, Kohlhepp R, Breil M. 2024. Impact of land-use change and user-tailored climate change information from a high-resolution climate simulation ensemble. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 299-314.
43. Ansorge C, Kostelecky J. 2024. Closing the scale gap for resolved-turbulence simulations in meteorology. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 315-335.
42. Branch O, Bauer HS. 2024. WRF simulations to investigate processes across scales (WRFSCALE). In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 337-352.
41. Depta PN, Dosta M, Heinrich S. 2024. Data-driven multiscale modeling of self-assembly and hierarchical structural formation in biological macro-molecular systems: Pyruvate dehydrogenase complex. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 355-370.
40. Tan Q, Hosseini SA, Thévenin D. 2024. Simulations of crystal growth using lattice Boltzmann formulation. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 387-398.
39. Homes S, Antolović I, Fingerhut R, et al. 2024. High-performance computing as a key to new insights into thermodynamics. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 399-413.
38. Pinzon J, Siebenborn M, Vogel A. 2024. Geometric constrained scalable algorithm for PDE-constrained shape optimization. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 415-428.
37. Lautenschlaeger MP, Weinmiller J, Kellers B, et al. 2024. Lattice Boltzmann simulation of flow, transport, and reactions in battery components. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 449-462.
36. Jafari V, Jarmatz P, Wittenberg H, et al. 2024. Fault tolerant molecular-continuum flow simulation. In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science and Engineering ’22. Springer. 463-475.
35. Wegmann T, Meinke M, Schröder W. 2024. Dynamic load balancing of a coupled Lagrange particle tracking solver for direct injection engine application. In: Resch M, Gebert J, Kobayashi H, Takizawa H, Baz W, eds. Sustained Simulation Performance 2022: Proceedings of the Joint Workshop on Sustained Simulation Performance. Springer. 41-60.
34. Marx J, Langenbach K, Kohns M. 2024. Assessment of approaches towards the relative permittivity of mixtures. J Chem Eng Data. ePub Mar 28.
33. Seitz T, Gerlinger P. 2024. Investigation and assessment of production- and dissipation-limited DDES methods for rocket combustion chamber simulations. Comput Fluids. 275: 106252.
32. Erisis S, Hörning M. 2024. Self-organization of PIP3 waves is controlled by the topology and curvature of cell membranes. Biophys J. ePub Mar 25.
31. Diederich J, Velasquez Rojas J, Zare Pour MA, et al. 2024. Unraveling electron dynamics in p-type indium phosphide (100): a time-resolved two-photon photoemission study. J Am Chem Soc. 146(13): 8649-8960.
30. Hösgen T, Meinke M, Schröder W. 2024. Analysis of ingress into the downstream wheel space of a 1.5-stage turbine by full circumference and single blade passage large-eddy simulations. J Turbomach. 146(9): 091006.
29. Kofahl C, Ganschow S, Bernhardt F, et al. 2024. Li-diffusion in lithium niobate – tantalate solid solutions. Solid State Ionics 409: 116514.
28. Kofahl C, Uhlendorf J, Muscutt BA, et al. 2024. Oxygen diffusion in Li(Nb,Ta)O3 single crystals. Phys Status Solidi A. 2300959.
27. Pionteck MN, Sanna S. 2024. Photoelastic properties of stoichiometric lithium niobate from first-principles calculations. Phys Status Solidi A. ePub Mar 11.
26. Schaefer D, Kunstmann B, Schmitt S, et al. 2024. Explosions of nanodroplets studied with molecular dynamics simulations. Phys Fluids. 36: 037129.
25. Tandiana R, Barletta GP, Soler MA, et al. 2024. Computational mutagenesis of antibody fragments: disentangling sidechains from ΔΔG predictions. J Chem Theory Comput. ePub Mar 6.
24. Sebastian R, Schreyer AM. 2024. Design considerations for efficient spanwise-inclined air-jet vortex generators for separation control in supersonic and hypersonic flows. Aerosp Sci Technol. 147: 109033.
23. Seiz M, Hierl H, Nestler B, Rheinheimer W. 2024. Revealing process and material parameter effects on densification via phase-field studies. Sci Rep-UK. 14: 5350.
22. Sokolov M, Mastrikov YA, Bocharov D, et al. 2024. Computational study of oxygen evolution reaction on flat and stepped surfaces of strontium titanate. Catalysis Today. 114609, ePub Mar 2.
21. Zhang F, Tavakkol S, Dercho S, et al. 2024. Assessment of dynamic characteristics of fluidized beds via numerical simulations. Phys Fluids. 36: 023348.
20. Franzke KL, Schmidt WG, Gerstmann U. 2024. Relativistic calculation of the orbital hyperfine splitting in complex microscopic structures. J Phys Conf Ser. 2710: 012094.
19. Homes S, Vrabec J. 2024. Resistivities across the vapor–liquid interface of a simple fluid: an assessment of methods. Phys Fluids. 36: 022122.
18. Gagnon L, Donners L, Zimmer F, Keßler M. 2024. Aerodynamic performance of a hovering cycloidal rotor: a CFD study with experimental validation. J Amer Helicopter Soc.
17. Albers M, Shao X, Schröder W. 2024. Energy efficient actuated drag reduced compressible turbulent flat plate flow. Int J Heat Fluid Flow. 106: 109314.
16. Krenz M, Gerstmann U, Schmidt WG. 2024. Defect-assisted exciton transfer across the tetracene-Si(111):H interface. Phys Rev Lett. 132: 076201.
15. Iskakov S, Katsnelson MI, Lichtenstein AI. 2024. Perturbative solution of fermionic sign problem in quantum Monte Carlo computations. npj Comput Mater. 10: 36.
14. Lagemann C, Lagemann K, Mukherjee S, Schröder W. 2024. Challenges of deep unsupervised optical flow estimation for particle–image velocimetry data. Exp Fluids. 65: 30.
13. Beyer J, Nizenkov P, Fasoulas S, Pfeiffer M. 2024. Simulation of radiating non-equilibrium flows around a capsule entering Titan’s atmosphere. AIP Conf Proc. 2996: 2000002.
12. Paraschos GF, Kim JY, Wielgus M, et al. 2024. Ordered magnetic fields around the 3C 84 central black hole. Astron Astrophys. 682: L3.
11. Kuberski S. 2024. Muon g−2: Lattice calculations of the hadronic vacuum polarization. Proceedings of Science, Vol 453. The 40th International Symposium on Lattice Field Theory (LATTICE2023).
10. Aleksa P, Ghorbani-Asl M, Iqbal S, et al. 2024. Transition from fractal-dendritic to compact islands for the 2D-ferroelectric SnSe on graphene/Ir(111). In press.
9. Topolski K, Tootle SD, Rezzolla L. 2024. Post-merger gravitational-wave signal from neutron-star binaries: a new look at an old problem. Astrophys J. 960(1): 86.
8. Jacobi M, Guercilena FM, Huth S, et al. 2024. Effects of nuclear matter properties in neutron star mergers. Mon Not R Astron Soc. 527(3): 8812-8828.
7. Potyka J, Schulte K. 2024. A volume of fluid method for three dimensional direct numerical simulations of immiscible droplet collisions. Int J Multiphase Flow. 170: 104654.
6. Tan Q, Hosseini SA, Seidel-Morgenstern, et al. 2024. Thermal effects connected to crystallization dynamics: a lattice Boltzmann study. Int J Multiphase Flow. 171: 104669.
5. Sciotto R, Ruiz Alvarado IA, Schmidt WG. 2024. Substrate doping and defect influence on P-rich InP(001):H surface properties. Surfaces. 7(1): 79-87.
4. Palmetshofer P, Geppert AK, Steigerwald J, et al. 2024. Thermocapillary central lamella recess during droplet impacts onto a heated wall. Sci Reports. 14: 1102.
3. Geppert AK, Stober JL, Steigerwald J, et al. 2024. Analyzing the early impact dynamics of single droplets impacting onto wetted surfaces. Phys Fluids. 36: 012005.
2. Hristozova L, Sebastian R, Schreyer AM. 2024. Flow fields around asymmetrical micro vortex generators in supersonic flow. Aerospace Sci Tech. 145: 108838.
1. Xu X, Zhang X, Ruban A, et al. 2024. Accurate complex-stacking-fault Gibbs energy in Ni3Al at high temperatures. Scripta Materialia 242: 115934.
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