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Latest Projects (Overview)

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

4D City − Space-time Urban Infrastructure Mapping by Multi-sensor Fusion and Visualization

4D City − Space-time Urban Infrastructure Mapping by Multi-sensor Fusion and Visualization

Static 3-D city models are well established for many applications such as architecture, urban planning, navigation, tourism, and disaster management. However, they do not represent the dynamic behavior of the buildings and other infrastructure (e.g. dams, bridges, railway lines). Such temporal change, i.e. 4-D, information is demanded in various aspect of urban administration, especially for the long-term monitoring of building deformation. Very high resolution spaceborne Synthetic Aperture Radar (SAR) Earth observation satellites, like the German TerraSAR-X and TanDEM-X provide for the first time the possibility to derive both shape and deformation parameters of urban infrastructure on a continuous basis.

Principal Investigator: Xiaoxiang Zhu, Signal Processing in Earth Observation, Technical University of Munich and Remote Sensing Technology Institute, German Aerospace Center (Germany)
HPC Platform: SuperMUC of LRZ - Date published: August 2017
More: 4D City − Space-time Urban Infrastructure Mapping by Multi-sensor Fusion and Visualization …

Liquid Break-up and Droplet Impact Simulation to Spread High Efficient Rotary Bells in SME Dominated General Industries

Liquid Break-up and Droplet Impact Simulation to Spread High Efficient Rotary Bells in SME Dominated General Industries

Researchers carry out numerical simulations of spray painting processes using a commercial high-speed rotary bell atomizer within the frame of an ongoing project “smart spray painting process”. Using a commercial CFD-code, detailed numerical studies deal with the film formation of the paint liquid on the bell cup, the primary liquid breakup near the bell edge, the paint droplet trajectories, as well as the droplet impact onto solid surface. Simulation results deliver important information for understanding and optimization of the complicated spray painting processes.

Principal Investigators: Qiaoyan Ye and Oliver Tiedje, Fraunhofer Institute for Manufacturing Engineering and Automation, Stuttgart, (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: August 2017
More: Liquid Break-up and Droplet Impact Simulation to Spread High Efficient Rotary Bells in SME Dominated General Industries …

The Beta Function of Strongly Coupled Gauge Theories near the Non-perturbative Conformal Edge

The Beta Function of Strongly Coupled Gauge Theories near the Non-perturbative Conformal Edge

Strongly Coupled Gauge Theories (SCGTs) play an important role in High Energy Physics. Certain SCGTs are nearly conformal, which is a desired property in the search of new physics. The search of such theories requires the study of the beta function. In this project, the Lattice Higgs Collaboration investigates the beta function of SCGTs which are similar to QCD and observed that the beta function decreases with increasing number of fermion flavors. It also provides a quantitative estimate of how close to conformality these theories are, which is crucial in the search of viable models of new physics.
  
Principal Investigator: Chik Him Wong, University of Wuppertal (Germany)
HPC Platform: JUQUEEN of JSC - Date published: July 2017
More: The Beta Function of Strongly Coupled Gauge Theories near the Non-perturbative Conformal Edge …

Atomistic Simulations of Laser Ablation and Radiation Induced Ionization Effects

LASMD: Atomistic Simulations of Laser Ablation and Radiation Induced Ionization Effects

Laser ablation is a technology which gains more an more importance in drilling, eroding, welding, structuring and marking of all kind of materials. The usage of shorter femtosecond laser pulses promises to improve the quality. Molecular dynamics simulations can contribute to new insights into the not completely comprehended ablation process with these short pulses. Researchers of the University of Stuttgart have developed a program package for the atomistic simulation of laser ablation which can deal with the coupling of the laser light, the heat conduction by the electrons, and the effects of a nascent plasma plume.

Principal Investigator: Johannes Roth, Institute for Theoretical and Applied Physics, University of Stuttgart (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: July 2017
More: LASMD: Atomistic Simulations of Laser Ablation and Radiation Induced Ionization Effects …

Computer Simulations of Nucleation Processes in Colloidal Crystals

Computer Simulations of Nucleation Processes in Colloidal Crystals

A team from the physics department of the Johannes Gutenberg University, Mainz, has investigated nucleation processes and interfacial properties of colloidal crystals. Nucleation is omnipresent in our daily life and describes events as diverse as the formation of rain in clouds, the crystallization of proteins or the growth of nano-particles. The studies undertaken using supercomputers Hazel Hen and Hornet of HLRS Stuttgart contribute towards a more fundamental understanding of these processes and the underlying theoretical foundation.

Principal Investigators: Kurt Binder and Peter Virnau, Johannes Gutenberg University, Mainz (Germany)
HPC Platform: Hornet and Hazel Hen of HLRS - Date published: July 2017
More: Computer Simulations of Nucleation Processes in Colloidal Crystals …

Flow Mixing Induced Thermal Fatigue Damage in Power Plant Piping Studied Using HPC

Flow Mixing Induced Thermal Fatigue Damage in Power Plant Piping Studied Using High Performance Computing

Understanding the nature of the turbulent flow mixing behavior in power plants which induce thermal fatigue cracking of components is still an unresolved challenge. Aside from measurements being performed at realistic power plant conditions (e.g. at 8 MPa pressure and temperature difference of 240°C between the mixing fluids) numerical calculations involving high-performance computing could throw more light into the complex fluid flow at any location of interest to investigators. Thus a combination of measurements coupled with numerical calculations could positively contribute towards realistic assessment of thermal fatigue damage induced in power plant components.

Principal Investigator: P. Karthick Selvam, Institute of Nuclear Technology and Energy Systems (IKE), University of Stuttgart (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: July 2017
More: Flow Mixing Induced Thermal Fatigue Damage in Power Plant Piping Studied Using High Performance Computing …

Fluctuations of Conserved Charges in High-Temperature QCD

Fluctuations of Conserved Charges in High-Temperature QCD

Researchers studying subatomic particles that govern our world have long been interested in describing phenomena that happen to the constituents of matter called protons and neutrons, called quarks and gluons, under extreme conditions. Using GCS computing resources, scientists were able to use quantum chromodynamics simulations to reveal that exotic “strange” and “charm” quarks freeze out at roughly the same temperature as the light quarks. In addition, it was found that more strange and charmed bound states should exist than have been detected experimentally thus far.
  
Principal Investigator: Edwin Laermann, Fakultät für Physik, Universität Bielefeld (Germany)
HPC Platform: JUQUEEN of JSC - Date published: June 2017
More: Fluctuations of Conserved Charges in High-Temperature QCD …

Ultrafast Excited-State Relaxation Dynamics of Proton and Solvated Electron in Liquid Water

Ultrafast Excited-State Relaxation Dynamics of Proton and Solvated Electron in Liquid Water

Ab initio calculations are carried out to study chemical processes and relaxation dynamics of water in its excited states upon photo-excitation. In this project, the researchers discovered an unusual non-grotthus-like proton transfer and a mixed localized and enhanced spin density distribution of solvated electron in water using combined Born-Oppenheimer molecular dynamics and time dependent density functional theory within periodic boundary condition. These investigations led to a deeper understanding of ultra-fast excited-state processes in fluids and are of general importance for physical chemistry of excited-state phenomena.

Principal Investigator: Prof. Dr. Thomas Bredow, Universität Bonn (Germany)
HPC Platform: JUQUEEN of JSC - Date published: June 2017
More: Ultrafast Excited-State Relaxation Dynamics of Proton and Solvated Electron in Liquid Water …

Statistical and Geometrical Properties of Turbulent Flows with Viscosity Stratification

Statistical and Geometrical Properties of Turbulent Flows with Viscosity Stratification

Viscosity represents the most important property of turbulent flows, yet its impact of its variation on turbulence dynamics is not yet fully understood. This project addresses how the dissipation mechanism and self-similarity of turbulent flows are affected by fluctuations in viscosity—questions that can help lead to better turbulent mixing models, and, in turn, improved predictions of pollutants in combustion engines. Highly resolved direct numerical simulations of turbulent shear flows on JUQUEEN with up to 231 billion grid points were performed in pursuit of an answer to this question.

Principal Investigator: Michael Gauding, Université de Rouen, Rouen (France)
HPC Platform: JUQUEEN of JSC - Date published: May 2017
More: Statistical and Geometrical Properties of Turbulent Flows with Viscosity Stratification …

Unveiling Water Structure and Dynamics at Interfaces

Unveiling Water Structure and Dynamics at Interfaces

The properties of water at interfaces such as liquid/vapor and liquid/solid interfaces are relevant to many fundamental processes in atmospheric chemistry as well as in biology such as protein folding and aggregation mechanisms. Leveraging HPC resources available at the HLRS, researchers at the Johannes Gutenberg University in Mainz apply ab initio molecular dynamics simulations (AIMD) in both equilibrium and non-equilibrium conditions, as AIMD simulations are an ideal tool for accurate descriptions of heterogeneous condensed phase systems. By simulating the behaviour of water at the nanoscale, the scientists aim for a better understanding about its properties at the interface.

Principal Investigator: Marialore Sulpizi, Johannes Gutenberg University, Mainz (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: April 2017
More: Unveiling Water Structure and Dynamics at Interfaces …

Reducing Jet Noise with Chevron Nozzles

Reducing Jet Noise with Chevron Nozzles

Noise reduction is a key goal in European aircraft policy. One of the major noise sources at aircraft take-off is the engine jet noise. Recently, chevron nozzles were introduced which have drawn a lot of attention in research and the aircraft industry. Since the flow structures in the jet depend on the details of the nozzle exit geometry and have a large impact on the noise sources in the jet, scientists of the RWTH Aachen University extensively investigate chevron nozzles by running large-scale simulations based on a highly resolved mesh with up to 1 billion mesh cells.

Principal Investigator: Matthias Meinke, Chair of Fluid Mechanics and Institute of Aerodynamics, RWTH Aachen University, Aachen (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: April 2017
More: Reducing Jet Noise with Chevron Nozzles …

High-Performance Simulation of Ultrafast Phase Transition

High-Performance Simulation of Ultrafast Phase Transition

Nanoscale wires can change from insulators to conductors when struck by a laser pulse. This phase transition occurs extremely fast — as fast as quantum mechanics allows, in fact — something that was previously thought to be impossible on surfaces. Scientists of the University of Paderborn and Duisburg–Essen leveraged the computing power of HPC system Hazel Hen for simulations to explain the physics behind this unexpected discovery.

Principal Investigator: Prof. Dr. Wolf Gero Schmidt, Theoretical Materials Physics Group, Paderborn University (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: April 2017
More: High-Performance Simulation of Ultrafast Phase Transition …

How Does the HIV Virus Hijack the Human Nuclear Pore Complex?

How Does the HIV Virus Hijack the Human Nuclear Pore Complex?

HIV is one of the most significant global public health threats. The virus evolves rapidly, and multi-drug resistant strains have already emerged. The drugs approved to date target only four HIV proteins. While two novel drug targets, Rev and the capsid protein (CA), have been identified, so far none have reached clinical trials. Scientists leverage the computing power of HPC system SuperMUC to simulate detailed and accurate models of the protein-protein interactions of these targets with the aim to facilitate the design of more effective drugs.
  
Principal Investigator: Helmut Grubmüller, Max-Planck-Institute for Biophysical Chemistry, Göttingen (Germany)
HPC Platform: SuperMUC of LRZ - Date published: April 2017
More: How Does the HIV Virus Hijack the Human Nuclear Pore Complex? …

Advanced Stencil-Code Engineering for Parallel Multigrid

Advanced Stencil-Code Engineering for Parallel Multigrid

With the rapidly changing massively parallel computer architectures arising in recent years, it became a huge challenge to make efficient use of contemporary supercomputers. Project ExaStencils addresses this problem by providing an easy-to-use, multi-layered domain-specific language to the application programmer such that problems can be formulated in an intuitive way fitting to different levels of abstraction. The necessary code transformations are performed by a special-purpose compiler framework that is able to produce scalable and efficient code that runs on large supercomputers like JUQUEEN of JSC.

Principal Investigator: Harald Köstler, Friedrich-Alexander Universität Erlangen-Nürnberg (Germany)
HPC Platform: JUQUEEN of JSC - Date published: March 2017
More: Advanced Stencil-Code Engineering for Parallel Multigrid …

Fluid Flow Simulations with Two-Phase Effects on Next Generation Supercomputers

Fluid Flow Simulations with Two-Phase Effects on Next Generation Supercomputers

Wind turbines are becoming increasingly efficient and quieter, while turbines operate reliably at high pressures and temperatures, and aircrafts use less fuel. These and other technical advances are made possible in great part because the occurring flow fields can be simulated with great accuracy on modern supercomputers. These machines use one hundred thousand processors and more to perform their calculations. The programs that are to run on such devices must be adapted to this high number of processors. An interdisciplinary team, which includes researchers of several institutes of the University of Stuttgart, has developed such a software package to enable two-phase flow simulations, where gaseous and liquid phases coexist.

Principal Investigators: Malte Hoffmann, Claus-Dieter Munz, Institute of Aerodynamics and Gas Dynamics, University of Stuttgart (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: March 2017
More: Fluid Flow Simulations with Two-Phase Effects on Next Generation Supercomputers …

Numerical Simulation of Impinging Jets

Numerical Study of Aeroacoustics of a Round Supersonic Impinging Jet

Supersonic impinging jets can be found in different technical applications of aerospace engineering. Depending on the flow conditions, loud tonal noise can be emitted. The so-called impinging tone is investigated by researchers of the chair of computational fluid dynamics at the Technical University of Berlin. Using direct numerical simulations (DNS) carried out on the Cray HPC systems Hermit, Hornet and Hazel Hen of the HLRS, the underlying sound source mechanisms could be identified for a typical configuration.

Principal Investigator: Jörn Sesterhenn, CFD - Technische Universität Berlin (Germany)
HPC Platform: Hermit/Hornet/Hazel Hen of HLRS - Date published: February 2017
More: Numerical Study of Aeroacoustics of a Round Supersonic Impinging Jet …

Laminar-Turbulent Transition and Flow Control in Boundary Layers

Laminar-Turbulent Transition and Flow Control in Boundary Layers

The flow layer near the surface of a body - the boundary layer - can have a smooth, steady, low-momentum laminar state, but also an unsteady, turbulent, layer-stirring state with increased friction drag and wall heat flux. Wall heating is especially severe with supersonic hot gas flows like, e.g., in a rocket (Laval-) nozzle extension. To protect the walls from thermal failure a cooling gas is injected building a cooling film. Its persistence depends strongly on the layer state of the hot-gas flow, the type of cooling gas, and the form and strength of injection. Fundamental studies are performed using direct numerical simulations, providing also valuable benchmark data for less intricate computational-fluid-dynamics methods using turbulence models.

Principal Investigators: Markus J. Kloker, Ulrich Rist, Institute for Aerodynamics and Gas Dynamics, University of Stuttgart (Germany)
HPC Platform: Hornet/Hazel Hen of HLRS - Date published: February 2017
More: Laminar-Turbulent Transition and Flow Control in Boundary Layers …

Numerical Simulation of Impinging Jets

Numerical Simulation of Impinging Jets

As part of the collaborative research centre CRC 1029, impingement cooling is studied at the chair of computational fluid dynamics at the Technical University of Berlin. The project aims at a more efficient cooling of turbine blades. This is necessary since future combustion concepts within gas turbines bring much higher thermal loads. Large scale direct numerical simulations (DNS) are carried out using the Cray supercomputers Hermit, Hornet and Hazel Hen of the HLRS.

Principal Investigator: Jörn Sesterhenn, CFD - Technische Universität Berlin (Germany)
HPC Platform: Hermit/Hornet/Hazel Hen of HLRS - Date published: February 2017
More: Numerical Simulation of Impinging Jets …

Local Supercluster Simulations

Local Supercluster Simulations

An international team of scientists performed a series of Constrained Simulations to study Near Field Cosmology. These high-resolution simulations allowed the astrophysicists, for the first time, to study the formation of the Local Group in the right cosmic environment.
  
Principal Investigator: Stefan Gottlöber, Leibniz-Institut für Astrophysik Potsdam (Germany)
HPC Platform: SuperMUC of LRZ - Date published: January 2017
More: Local Supercluster Simulations …

The Strangeness Content of the Nucleon

The Strangeness Content of the Nucleon

At the Large Hadron Collider at CERN protons are collided at extremely high energies in an effort to detect New Physics, i.e. deviations from Standard Model expectations. These depend on the structure of the colliding protons, and this is largely determined by quantum fluctuations, e.g., by how much of the proton is made up of short lived quark-antiquark pairs. At present the mass fractions are controversial both for light (up, down) and for strange quarks. These (and related) quantities are calculated within Quantum Chromodynamics. The partial results obtained so far hint at inconsistencies of present parametrizations.
  
Principal Investigator: Andreas Schäfer, Institut für Theoretische Physik, Universität Regensburg (Germany)
HPC Platform: SuperMUC of LRZ - Date published: January 2017
More: The Strangeness Content of the Nucleon …

Computational Characterization of Structural Dynamics and Interactions Underlying the Function of Transmembrane Domains of Integral Membrane Proteins

Computational Characterization of Structural Dynamics and Interactions Underlying the Function of Transmembrane Domains of Integral Membrane Proteins

Integral membrane proteins exhibit conformational flexibility at different structural levels and time scales. Our work focusses on the biophysical basis of the interdependence of transmembrane helix dynamics, helix-helix recognition, and helix-lipid interactions. In this context, we try to understand the impacts of these phenomena on biological processes, such as membrane fusion, lipid translocation, and intramembrane proteolysis. Our approach closely connects experimental work and established computational analysis in order to interpret and guide the experiments and to validate the simulations.
  
Principal Investigators: Christina Scharnagl and Dieter Langosch, Technical University of Munich (Germany)
HPC Platform: SuperMUC of LRZ - Date published: January 2017
More: Computational Characterization of Structural Dynamics and Interactions Underlying the Function of Transmembrane Domains of Integral Membrane Proteins …

Nucleon Observables as Probes for Physics Beyond the Standard Model

Nucleon Observables as Probes for Physics Beyond the Standard Model

Utilizing the approach of lattice QCD, physicists computed key observables with the goal to better understand the inner structure of nucleons. This project addressed in particular the quark and gluon contributions to the spin, the angular momentum, and the momentum of the nucleon while a special focus was laid on the calculation of the scalar quark content of the proton. Such calculations will aid research of physical processes in particle physics and the as yet unknown nature of dark matter.
  
Principal Investigator: Dr. Karl Jansen, Deutsches Elektronen-Synchrotron/DESY, Zeuthen (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: January 2017
More: Nucleon Observables as Probes for Physics Beyond the Standard Model …

Realistic Modeling of Semiconductor Properties by First Principles Calculations

Realistic Modeling of Semiconductor Properties by First Principles Calculations

For the development of new communication and computing technologies, conceptually new materials and device architectures are needed. One pathway of increasing the efficiency of e.g. integrated transistor circuits is to implement photonic functionality to the devices. With the HLRS project “GaPSi”, researchers of the University of Marburg contribute to the developments in designing and producing optically active compound semiconductor materials that can be integrated into conventional silicon-based technology.

Principal Investigator: PD Dr. Ralf Tonner, Philipps-Universität Marburg (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: December 2016
More: Realistic Modeling of Semiconductor Properties by First Principles Calculations …

High Performance Computing for Welding Analysis

High Performance Computing for Welding Analysis

As an integral part of the PRACE SHAPE project HPC Welding, the parallel solvers of the Finite Element Analysis software LS-DYNA were used by Ingenieurbüro Tobias Loose to perform a welding analysis on HLRS HPC system Hazel Hen. A variety of test cases relevant for industrial applications had been set up with DynaWeld, a welding and heat treatment pre-processor for LS-DYNA, and were run on different numbers of compute cores to test its scaling capabilities.

Principal Investigator: Tobias Loose, Ingenieurbüro Loose, Wössingen (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: December 2016
More: High Performance Computing for Welding Analysis …

Binary Neutron Star Mergers

Binary Neutron Star Merger Simulations

The recent observations of gravitational waves (GWs) marked a breakthrough and inaugurated the field of GW astronomy. To extract information from a detection, the measured signal needs to be cross-correlated with a template family. However, due to the nonlinearity of Einstein’s equations, numerical simulations have to be used to study systems with gravitational fields strong enough to emit GWs. This project focused on the simulation of systems consisting of two neutron stars and investigated the effect of the mass ratio and the influence of the spin of the individual stars.
  
Principal Investigators: Bernd Brügmann, Friedrich-Schiller-University, Jena, and Tim Dietrich, Max Planck Institute for Gravitational Physics (Albert Einstein Institute), Potsdam-Golm (Germany)
HPC Platform: SuperMUC of LRZ - Date published: December 2016
More: Binary Neutron Star Merger Simulations …

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