LATEST RESEARCH RESULTS

Find out about the latest simulation projects run on the GCS supercomputers. For a complete overview of research projects, sorted by scientific fields, please choose from the list in the right column.

Astrophysics

Principal Investigator: Dr. Salvatore Cielo , Bayrische Akademie der Wissenschaften, Garching, Germany

HPC Platform used: SuperMUC-NG of LRZ

Local Project ID: pn49xu

Numerical sciences are experiencing a renaissance thanks to the spread of heterogeneous computing. The SYCL open standard unlocks GPGPUs, accelerators, multicore and vector CPUs, and advanced compiler features and technologies (LLVM, JIT), while offering intuitive C++ APIs for work-sharing and scheduling. The project allowed for the kick-off of DPEcho (short for Data-Parallel ECHO), a SYCL+MPI porting of the General-Relativity-Magneto-Hydrodynamic (GRMHD) OpenMP+MPI code ECHO, used to model instabilities, turbulence, propagation of waves, stellar winds and magnetospheres, and astrophysical processes around Black Holes, in Cartesian or any coded GR metric.

 

Engineering and CFD

Principal Investigator: Prof. Holger Foysi , Chair of Fluid Dynamics, Universität Siegen, Siegen, Germany

HPC Platform used: JUWELS Booster of JSC

Local Project ID: osccompchannel

Reducing drag in engineering type flows is of paramount importance. Various approaches and configurations were tackled in the past, mostly, however, dealing with incompressible flow. In this project, researchers at University of Siegen were investigating a specific oscillation type control method for sub- and supersonic channel flow, a configuration where the fluid domain is restricted by cooled lower and upper walls.

Astrophysics

Principal Investigator: Prof. Dr. Rainer Grauer , Institute for theoretical physics I, Ruhr-University Bochum, Bochum, Germany

HPC Platform used: JUWELS CPU of JSC

Local Project ID: SpecDyn

Currently, the DRESDYN experiment is under construction. It aims to find and understand the mechanisms behind the excitation of a magnetic field due to the precessing motion of a conducting fluid. Such a precessing fluid is, for example, inside the core of the Earth, which is believed to sustain the Earth's magnetic field. To study the flow fields as well as the magnetic fields and to predict optimal parameter regimes for the DRESDYN experiment, numerical simulations are performed on JUWELS CPU using the code SpecDyn.

Materials Science and Chemistry

Principal Investigator: Prof. Dr. Walter Hofstetter , Goethe-Universität Frankfurt, Institut für Theoretische Physik, Frankfurt, Germany

HPC Platform used: JUWELS Cluster Module and Booster Module of JSC

Local Project ID: TopoInt

Periodically driven ultracold atomic systems can be used to engineer topologically nontrivial phases, and can give rise to anomalous topological phases with chiral edge modes in the presence of a trivial bulk (AFTI). We have investigated the role of additional quenched disorder and two-particle interactions on this state. Within an exact diagonalization study we have found signatures of the anomalous Floquet Anderson insulator (AFAI) phase within an experimentally realized model by calculating several indicators [1]. It supports quantized charge pumping through chiral edge states, while the bulk states remain completely localized. Moreover, we have developed an efficient new algorithm for calculating higher-order Chern numbers [2].

Elementary Particle Physics

Principal Investigator: Apl. Prof. Dr. Georg von Hippel , Johannes Gutenberg-Universität Mainz, Institut für Kernphysik, Mainz, Germany

HPC Platform used: JUWELS (CPU nodes) of JSC

Local Project ID: NucStrucLFL

The internal structure of the proton and neutron (collectively known as the nucleon), which form the building blocks of atomic nuclei, still poses many open questions. Not only is it not completely understood how the nucleon’s spin and momentum are composed of those of its constituent particles (the quarks and gluons), but even its size is subject to significant uncertainty arising from discrepancies between different determinations: there is a decade-old inconsistency between the electric charge radius of the proton as obtained from scattering experiments in good agreement with the value from hydrogen spectroscopy on the one hand, and the most accurate determination from the spectroscopy of muonic hydrogen on the other. This significant…

Life Sciences

Principal Investigator: Prof. Dr. Alexander Schug

HPC Platform used: JUWELS CPU of JSC

Local Project ID: HisKA

Life at the molecular level is driven by the interplay of many biomolecules. Much like man-made machines in everyday life, they need to move, rotate, react to signals or use and provide resources. Unlike man-made machines, however, they function at the atomic level so directly observing their workings is impossible as they are invisible both to the naked eye and regular optic microscopes. Specific highly specialised equipment can provide insight into the inner working of these atomic-sized machines, but such equipment is very expensive and the required wet-lab setups can be highly involved.

Engineering and CFD

Principal Investigator: Dr. Manuel Keßler , Universität Stuttgart, Institut für Aerodynamik und Gasdynamik (IAG), Stuttgart, Germany

HPC Platform used: Hawk/HAZELHEN of HLRS

Local Project ID: HELISIM

The helicopters & aeroacoustics group of the Insitute of Aerdynamics and Gasdynamics at the University of Stuttgart continues to develop their well-established and validated rotorcraft simulation framework. In addition to vibration prediction, noise reduction, and maneuver flight developments, new application areas like air taxis and distributed propulsion emerge out of industrial needs and fundamental research questions.

Astrophysics

Principal Investigator: Prof. Dr. Stefanie Walch-Gassner , Physikalisches Institut, Universität zu Köln, Cologne, Germany

HPC Platform used: JUWELS CPU of JSC

Local Project ID: COSMOS

High-mass star formation is a highly complex and dynamic process involving a large number of physical mechanisms. To better interpret real-world star-forming regions, simulations of collapsing clouds are used. These simulations produce the distribution of matter within star-forming regions, taking into account the effects of gravitational contraction as well as the feedback from massive stars. These simulations are then used to compute synthetic telescope images which may be compared to observations made with instruments like the Atacama Large Millimeter Array (ALMA).

Engineering and CFD

Principal Investigator: Prof. Dr. Heinz Pitsch , Institute for Combustion Technology, RWTH Aachen University, Aachen, Germany

HPC Platform used: Hawk of HLRS

Local Project ID: SootDNS

A direct numerical simulation (DNS) of a turbulent air/ethylene jet was conducted to further understand soot oxidation at relevant combustion regimes. The DNS computational domain comprised 1.5 billion points, which integrated a detailed soot model and a chemical kinetic mechanism that involved 41 chemical species. Diverging from previous works primarily focused on soot formation, this project investigates the later stages of soot evolution, particularly its oxidation in turbulent flames. The roles of OH radicals and molecular oxygen in oxidizing soot particles, along with their distribution across mixture fraction space, were analyzed. Leveraging the dataset, an assessment of existing subfilter models for soot-gas phase interaction,…

Astrophysics

Principal Investigator: Dr. Stefan Gottlöber , Leibniz-Institut für Astrophysik Potsdam, Germany

HPC Platform used: JUWELS of JSC

Local Project ID: chpo22

Near field cosmology is the theoretical and observational study of our neighbourhood in the universe. This is the main topic of focus for the CLUES collaboration (www.clues-project.org). Our neighbourhood is the best observed part of the universe where also tiny dwarf galaxies can be studied. The properties of these dwarfs reflect their early formation history and state of the universe at the Cosmic Dawn, when the first stars and galaxies formed. Studying them sheds new light on these times, known as Cosmic Dawn and Epoch of Reionisation.

Life Sciences

Principal Investigator: Prof. Dr. Hasenauer , Universität Bonn, Hausdorff Center for Mathematics - HCM, Bonn, Germany

HPC Platform used: JUWELS of JSC

Local Project ID: fitmulticell

FitMultiCell is a computational pipeline developed by Prof. Dr.-Ing. Jan Hasenauer's team to tackle the complexity of simulating and fine-tuning biological tissues. This tool streamlines the creation, simulation, and calibration of biological models that imitate cellular interactions within tissues. The pipeline offers a user-friendly platform for researchers to conduct analyses on supercomputers like JUWELS. FitMultiCell's flexibility and power are demonstrated in studies on viral infections, tumor growth, and organ regeneration, proving its efficiency in refining models to match experimental data. Furthermore, enhancements for handling data outliers and scalability ensure FitMultiCell's robust application in diverse research fields.

Engineering and CFD

Principal Investigator: Prof. Dominique Thévenin , Otto von Guericke Universität, Institut für Strömungstechnik und Thermodynamik, Magdeburg, Germany

HPC Platform used: Hawk of HLRS

Local Project ID: CRYSALB

Lattice Boltzmann method (LBM) with phase-field model has been performed to investigate the growth habit of a single ice crystal. Given the multitude of growth habits, pronounced sensitivity to ambient conditions and wide range of scales involved, snowflake crystals are particularly challenging. Only few models are able to reproduce the diversity observed regarding snowflake morphology. It is particularly difficult to perform reliable numerical simulations of snow crystals. Here, we present a modified phase-field model that describes vapor-ice phase transition through anisotropic surface tension, surface diffusion, condensation, and water molecule depletion rate.

Astrophysics

Principal Investigator: Prof. Dr. Wolfgang Hillebrandt , Max Planck Gesellschaft, Max-Planck-Institut für Astrophysik, Garching, Germany

HPC Platform used: JUQUEEN, JURECAVIS, JUROPA and JUWELS CPU of JSC

Local Project ID: CHMU14

In project CHMU14, challenging three-dimensional simulations of thermonuclear explosions of white dwarf stars near the Chandrasekhar-mass limit were conducted. These were followed by radiative transfer simulations that allow to predict observables. A comparison with astronomical data shows that such models can explain the subclass of Type Iax supernovae.

Materials Science and Chemistry

Principal Investigator: Martin Hummel

HPC Platform used: HAZELHEN of HLRS

Local Project ID: MD-AIMg

Although MD is a widely used and accepted method, there is often the need of comparison to experiment to validate the reliability of the findings. The development of supercomputers as well as the optimization of the used simulation code led to enormous changes in the achievable dimensions. Nevertheless, the simulation of an aluminum cube of 1 µm side length would contain about 60 billion atoms. To simulate this for a duration of 1 µs simulated time, with time step 1 fs, it would take 47,248 core years on a Cray XT5 system, based on the 1.49e-6 sec/atom/time step determined at the benchmark on the LAMMPS webpage [2].

Environment and Energy

Principal Investigator: Prof. Michael Schindelegger , University of Bonn, Institute of Geodesy and Geoinformation, Bonn, Germany

HPC Platform used: JUWELS CPU of JSC

Local Project ID: scoop-j1

The regular ups and downs of tides are phenomena obvious to any observer of the sea. Less known is that ocean tides also undergo small changes over time, for reasons that are not yet fully understood. In this project, large simulations with a global three-dimensional ocean model were performed to understand the extent to which ocean warming and the resultant increase in the vertical density structure have contributed to changes in the largest tidal wave, M2, from 1993 to 2020. Evidence was found that upper ocean warming is the leading cause for present weakening of the size of M2 across entire ocean basins. In turn, more tidal energy is currently being transferred from M2 to three-dimensional waves in the ocean’s interior.

Elementary Particle Physics

Principal Investigator: Prof. Dr. Carsten Urbach , Helmholtz-Institut für Strahlen- und Kernphysik, Universität Bonn, Germany

HPC Platform used: Hawk and HAZELHEN of HLRS

Local Project ID: GCS-HSRP

Collisions of protons and pions are usually observed and measured in particle accelerators. Thanks to today’s powerful supercomputers we can study these elementary particles also in theory, namely based on the core principles of Quantum Chromodynamics. By simulating the fundamental quark and gluon fields on a space-time lattice not only can we investigate why protons (and pions and many other particles) emerge at all from the strong force, but also their reaction with each other, for example in an elastic collision. And sometimes such collisions bring forth entirely new, short-lived particles, like the Δ resonance. Our project is dedicated to applying the Lattice QCD method to track from fundamental quarks and gluons to the Δ particle.

Engineering and CFD

Principal Investigator: Prof. Dr.-Ing. Heinz Pitsch , Institute for Combustion Technology, RWTH Aachen University, Germany

HPC Platform used: SuperMUC-NG of LRZ

Local Project ID: pn29gu

A direct numerical simulation (DNS) with finite rate chemistry has been performed to investigate the influence of flame-wall interaction (FWI) on carbon monoxide (CO) emissions in very lean turbulent premixed methane flames. CO emissions are affected by the mean strain rate of the turbulent flow, the FWI, and the interactions of the flame with the recirculation zones of the flow. The CO production and consumption in the turbulent flame differ strongly from the reaction rates in a freely propagating flame.

Environment and Energy

Principal Investigator: Dr. Claudia Finger , Fraunhofer Research Institution for Energy Infrastructures and Geothermal Systems (IEG), Bochum, Germany

HPC Platform used: JUWELS CPU of JSC

Local Project ID: seisgeotherm

Geothermal energy is vital for renewable power and heating. To improve project safety and efficiency, scientists employ various methods to understand subsurface processes. Monitoring earthquakes is key and reveals how the subsurface reacts to different factors. However, interpreting seismic recordings is challenging due to complex interactions and background noise. Underground processes are complicated by fluids and fault systems. Our project uses computer simulations to analyze seismic waves, enhancing our ability to pinpoint small earthquakes accurately. This helps understanding seismic triggers and reducing hazards. Additionally, we utilize recorded background noise to directly investigate subsurface structures, maximizing data insights.

Astrophysics

Principal Investigator: James R. Beattie and Prof. Christoph Federrath , Research School of Astronomy and Astrophysics, Australian National University

HPC Platform used: SuperMUC at LRZ

Local Project ID: pn73fi

Supersonic, magnetised turbulence is ubiquitous in the interstellar medium of galaxies. Unlike incompressible turbulence, supersonic turbulence is not scale-free. The scale that marks the transition from supersonic to subsonic turbulence is the so-called sonic scale, which in the context of star formation may define the critical value for which regions inside of molecular gas clouds collapse under their own gravity to form stars.

Materials Science and Chemistry

Principal Investigator: Prof. Claudia Draxl , Institut für Physik and IRIS Adlershof, Humboldt-Universität zu Berlin, Germany

HPC Platform used: SuperMUC-NG at LRZ

Local Project ID: pn29ji

Gallium oxide (Ga2O3), a transparent semiconducting oxide with a wide bandgap of around 4.9 eV, has emerged as a promising candidate for future applications in electronics (Schottky barrier diodes, field-effect transistors), optoelectronics (solar- and visible-blind photodetectors, flame detectors, light emitting diodes, touch screens), and sensing systems (gas sensors, nuclear radiation detectors) [2]. The monoclinic β phase is its most stable and studied polymorph. Compared to the bulk properties, research on its surface properties is still sparse. However, these play a crucial role in many processes and applications, such as epitaxial growth and electrical contacts.

 

For a complete list of projects run on GCS systems, go to top of page and select the scientific domain of interest in the right column.