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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.

Unravelling the interior Evolution of Rocky Planets Through Large-Scale Numerical Simulations

Unravelling the interior Evolution of Rocky Planets Through Large-Scale Numerical Simulations

The large amount of data returned by several space missions to the terrestrial planets has greatly improved our understanding of the similarities and differences between the innermost planets of our Solar System. Nevertheless, their interior remains poorly known since most of the data is related to surface processes. In the absence of direct data of the interior evolution of terrestrial planets, numerical simulations of mantle convection are an important mean to reconstruct the thermal and chemical history of the interior of the Earth, Moon, Mercury, Venus and Mars. In this project, run on Hornet of HLRS, researchers used the mantle convection code Gaia to model the thermal evolution of terrestrial planets and in particular the early stage of their history.
  
Principal Investigator: Ana-Catalina Plesa, German Aerospace Center/DLR, Berlin (Germany)
HPC Platform: Hornet/HLRS - Date published: January 2018 (MATHECO)
More: Unravelling the interior Evolution of Rocky Planets Through Large-Scale Numerical Simulations …

Direct Numerical Simulation of the Formation of Subaqueous Sediment Patterns: Evolution Beyond the Initial Formation

Direct Numerical Simulation of the Formation of Subaqueous Sediment Patterns: Evolution Beyond the Initial Formation

This project has investigated the problem of sediment transport and subaqueous pattern formation by means of high-fidelity direct numerical simulations which resolve all the relevant scales of the flow and the sediment bed. In order to realistically capture the phenomenon, sufficiently large computational domains with up to several billion grid nodes are adopted, while the sediment bed is represented by up to a million mobile spherical particles. The numerical method employed features an immersed boundary technique for the treatment of the moving fluid-solid interfaces and a soft-sphere model to realistically treat the inter-particle contacts. The study provides, first and foremost, a unique set of spatially and temporally resolved information on the flow field and the motion of individual particles which make up the sediment bed. Furthermore, based on the rigorous analysis of the generated data, the fluid flow and particle motion over the evolving patterns are studied in great detail, providing novel insight into the different mechanisms involved in the processes of sediment pattern formation.

Principal Investigators: Aman G. Kidanemariam and Markus Uhlmann, Computational Fluid Dynamics group, Institute for Hydrodynamics, Karlsruhe Institute of Technology (KIT), Germany
HPC Platform: SuperMUC (LRZ) - Date published: January 2018 (pr84du)
More: Direct Numerical Simulation of the Formation of Subaqueous Sediment Patterns: Evolution Beyond the Initial Formation …

Unraveling the Gating Process of a Complex Ion Channel

Unravelling the Gating Process of a Complex Ion Channel

Ion channels play a fundamental role in maintaining vital electrochemical gradients across the cell membrane and in enabling electrical signaling across cells. Key characteristics of ion channel function that can be experimentally quantified include ion permeation rates and selectivities. In this project, the functional mechanism of a very important class of ion channels is investigated with the help of molecular dynamics simulations. The computer simulations exhibit a wide range of GLIC states from completely closed to wide open, with conductance and selectivity for the open state in agreement with experimental values. The scientists are now beginning to investigate the intricate opening/closing mechanism in detail to ultimately explain it from a physics perspective.
  
Principal Investigator: Helmut Grubmüller, Max-Planck-Institute for Biophysical Chemistry, Göttingen (Germany)
HPC Platform: SuperMUC/LRZ - Date published: January 2018 (pr48pa)
More: Unravelling the Gating Process of a Complex Ion Channel …

Influence of Hydrogen Bonds on Surface Reactions

Influence of Hydrogen Bonds on Surface Reactions

Researchers at the University of Paderborn currently focus on the further development of the ring polymer path integral molecular dynamics method, and in particular on the simulation of vibrational spectroscopy methods. Leveraging the petascale computing capabilities of HPC system JUQUEEN, they have improved the current understanding of hydrogen bond cooperation by using a proper basis for its description, namely its energy.

Principal Investigator: Thomas Kühne, Department of Chemistry, University of Paderborn (Germany)
HPC Platform: JUQUEEN (JSC) - Date published: January 2018 (hpb01)
More: Influence of Hydrogen Bonds on Surface Reactions …

The Conformal Window and Technicolour Theories with Adjoint Fermions

The Conformal Window and Technicolour Theories with Adjoint Fermions

In this project, a multi-instutional team of researchers investigated new strongly interacting theories beyond the Standard Model of particle physics. These theories share fascinating but still puzzling features with the strong interaction of nuclear forces. In addition, they offer new phenomena and exotic properties that make them interesting for a more general understanding of the foundations of particle physics.
  
Principal Investigator: Georg Bergner, Theoretisch-Physikalisches Institut, Universität Jena (Germany)
HPC Platform: JUQUEEN/JURECA of JSC - Date published: January 2018 (hwu08)
More: The Conformal Window and Technicolour Theories with Adjoint Fermions …

Direct Numerical Simulation of Fully-Rough Open-Channel Flow Over Spherical Roughness Elements

Direct Numerical Simulation of Fully-Rough Open-Channel Flow Over Spherical Roughness Elements

Open channel flow can be considered as a convenient "laboratory" for investigating the physics of the flow in rivers. One open questions in this field is related to the influence of a rough boundary (i.e. the sediment bed) upon the hydraulic properties, which to date is still unsatisfactorily modelled by common engineering-type formulae. The present project aims to provide the basis for enhanced models by generating high-fidelity data of shallow flow over a bed roughened with spherical elements in the fully rough regime. In particular, the influence of the roughness Reynolds number and of the spatial roughness arrangement upon the turbulent channel flow structure is being studied.

Principal Investigators: Markus Uhlmann, Karlsruhe Institute of Technology/KIT (Germany) and Marco Mazzuoli, University of Genoa (Italy)
HPC Platform: SuperMUC (LRZ) - Date published: January 2018 (pr87yo)
More: Direct Numerical Simulation of Fully-Rough Open-Channel Flow Over Spherical Roughness Elements …

Simulation of Turbulent Flow Around a Wing

Simulation of Turbulent Flow Around a Wing

This project aims at the simulation of the influence of a turbulent atmospheric boundary layer flow on a wing. For this purpose the compressible flow solver DLR-TAU is used, which is developed by the German Aerospace Center (DLR). For initialising the simulation with a turbulent wind field a method to generate synthetic turbulence is used. This method uses statistics from measured time series from the atmospheric boundary layer to generate a threedimensional turbulent wind field which can be used as initial field in the flow simulations.

Principal Investigators: Torsten Auerswald and Jens Bange, Center for Applied Geoscience, University of Tübingen (Germany)
HPC Platform: Hermit/Hornet of HLRS - Date published: January 2018 (WAF)
More: Simulation of Turbulent Flow Around a Wing …

Direct Numerical Simulation of Turbulent Mixing in the Planetary Boundary Layer

Direct Numerical Simulation of Turbulent Mixing in the Planetary Boundary Layer

The planetary boundary layer (PBL) is the lower layer of the troposphere, the layer that directly feels surface effects on time scales smaller than a day. Planetary boundary layers are important in climatology—modulating the fluxes between atmosphere, land and ocean—, and in meteorology—influencing weather conditions—, but key properties remain poorly understood, largely because the PBL is turbulent, and understanding and characterizing the multi-scale nature of turbulence remains challenging. High-performance computing and direct numerical simulations are decisively contributing to advance our understanding of PBL properties.

Principal Investigator: Juan Pedro Mellado, Max Planck Institute for Meteorology, Hamburg (Germany)
HPC Platform: JUQUEEN of JSC - Date published: December 2017
More: Direct Numerical Simulation of Turbulent Mixing in the Planetary Boundary Layer …

Flavor Singlet Physics with Background Fields

Flavor Singlet Physics with Background Fields

The calculation of sea quark and gluon content of hadrons, which can be traced back to flavour singlet hadron matrix elements, is one of the greatest technical challenges left in lattice QCD. This is due to the fact that the lattice calculation of so-called "disconnected diagrams" is extremely noisy and gives a poor signal. An improved determination of these disconnected contributions was the main aim of this project. For that, physicists of the QCDSF collaboration have proposed an alternative to the conventional three-point function technique (3-pt) for the study of hadron matrix elements in lattice QCD.
  
Principal Investigator: Arwed Schiller, Institut für Theoretische Physik, Leipzig University, Germany (QCDSF collaboration)
HPC Platform: JUQUEEN of JSC - Date published: December 2017
More: Flavor Singlet Physics with Background Fields …

Longtime 3D Supernova Simulations for Establishing the Progenitor-Remnant Connection

Longtime 3D Supernova Simulations for Establishing the Progenitor-Remnant Connection

Recently the first three-dimensional simulations have confirmed the long-standing hypothesis that the neutrino-driven mechanism, supported by violent hydrodynamic instabilities and turbulent mass flows, can explain supernova explosions of stars with more than 8−10 solar masses. Further consolidation of this mechanism and a deeper theoretical understanding of its functioning require the exploration of a broader variety of progenitor stars and of dependences on the initial conditions prior to iron-core collapse. In this Gauss project the influence of stellar rotation, perturbations in the convective oxygen-burning layer, and of large mass-infall rates due to high core compactness in very massive progenitor stars were explored.
  
Principal Investigator: Hans-Thomas Janka, Max Planck Institute for Astrophysics, Garching (Germany)
HPC Platform: SuperMUC of LRZ - Date published: November 2017
More: Longtime 3D Supernova Simulations for Establishing the Progenitor-Remnant Connection …

The World’s Largest Turbulence Simulations

The World’s Largest Turbulence Simulations

Interstellar turbulence shapes the structure of the multi-phase interstellar medium (ISM) and is a key process in the formation of molecular clouds as well as the build-up of star clusters in their interior. The key ingredient for our theoretical understanding of ISM dynamics and stellar birth is the sonic scale in the turbulent cascade, which marks the transition from supersonic to subsonic turbulence and produces a break in the turbulence power spectrum. To measure this scale and study the sonic transition region in detail, scientists, for the first time, ran a simulation with the unprecedented resolution of 10,0483 grid cells.
  
Principal Investigators: Ralf Klessen, Universität Heidelberg (Germany) and Christoph Federrath, Australian National University
HPC Platform: SuperMUC of LRZ - Date published: November 2017
More: The World’s Largest Turbulence Simulations …

Metal Enrichment by Turbulent Mixing in Cosmological Simulations

Metal Enrichment by Turbulent Mixing in Cosmological Simulations

The modelling of star formation and feedback processes such as supernova explosions is a longstanding problem in numerical simulations of cosmological structure formation because the internal structure of galaxies cannot be resolved in sufficient detail even on very powerful supercomputers. For this reason, star formation and stellar feedback are treated as so-called subgrid physics. The aim of this project is to combine standard recipes for star formation in simulations on cosmological scales with a subgrid-scale model for numerically unresolved turbulence, which allows to study the influence of turbulence on star formation and the mixing of metals expelled by supernova explosions in galaxies.
  
Principal Investigator: Wolfram Schmidt, Institut für Astrophysik, Universität Göttingen, and Hamburger Sternwarte, Universität Hamburg (Germany)
HPC Platform: SuperMUC of LRZ - Date published: November 2017
More: Metal Enrichment by Turbulent Mixing in Cosmological Simulations …

Towards Resolving the Turbulent Cascade in Self-Consistent 3D Core-Collapse Supernova Simulations

Towards Resolving the Turbulent Cascade in Self-Consistent 3D Core-Collapse Supernova Simulations

First self-consistent, first-principle simulations in three dimensions have provided support for the viability of the neutrino-driven mechanism as an explanation of supernova explosions of stars with more than 8−10 solar masses. While these results respresent fundamentally important progress in our understanding of how massive stars terminate their lives, the enormous complexity and computational demand of the involved neutrino physics set severe resolution limitations to current full-scale supernova models. In this project, the numerical convergence of the present simulations were investigated.
  
Principal Investigator: Hans-Thomas Janka, Max Planck Institute for Astrophysics, Garching (Germany)
HPC Platform: SuperMUC of LRZ - Date published: November 2017
More: Towards Resolving the Turbulent Cascade in Self-Consistent 3D Core-Collapse Supernova Simulations …

First-Principles Modeling of Minerals, Melts and Fluids at High Pressures and High Temperatures

First-Principles Modeling of Minerals, Melts and Fluids at High Pressures and High Temperatures

Comprehension of processes in the deep Earth’s interior requires knowledge of the structure and properties of geologically relevant materials at high pressures and high temperatures. In this project, first-principles molecular dynamics simulations are employed to complement experimental efforts to study mainly structurally disordered materials under extreme conditions. For instance, in a recent study the structure of SiO2 glass was studied up to pressures of more than 1.5 Mbar. Further, the feasibility of predicting element partitioning between melts from first-principles has been explored.

Principal Investigator: Sandro Jahn, Institute of Geology and Mineralogy, University of Cologne (Germany)
HPC Platform: JUQUEEN of JSC - Date published: November 2017
More: First-Principles Modeling of Minerals, Melts and Fluids at High Pressures and High Temperatures …

High Resolution Climate Modelling

High Resolution Climate Modelling

Modelling of the regional present day as well as future climate is of great interest both scientifically as well as for applications. The “Regional Climate and Water Cycle Group” at KIT Karlsruhe uses the COSMO-CLM regional climate model for detailed climate simulations in various parts of the world. Many of these quite expensive and storage intensive runs are performed on Hazel Hen at HLRS. After giving a motivation for high resolution climate modelling, the scientists briefly describe some technical aspects like nesting and ensemble building and then go to a short presentation of some results concerning the future climate in Baden-Württemberg.

Principal Investigator: Gerd Schädler, Institute of Meteorology and Climate Research, Department Troposphere Research (IMK-TRO), Karlsruhe Institute of Technology, Karlsruhe, Germany (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: November 2017
More: High Resolution Climate Modelling …

Rapid and Accurate Calculation of Ligand-Protein Binding Free Energies

Rapid and Accurate Calculation of Ligand-Protein Binding Free Energies

Rapid and accurate calculation of binding free energies is of major concern in drug discovery and personalized medicine. A pan-European research team leveraged the computing power of LRZ’s SuperMUC system to predict the strength of macromolecular binding free energies of ligands to proteins. An in-house developed, highly automated, molecular-simulation-based free energy calculation workflow tool assisted the team in achieving optimal efficiency in its modelling and calculations, resulting in rapid, reliable, accurate and precise predictions of binding free energies.
  
Principal Investigators: Dieter Kranzlmüller, Ludwig-Maximilians-Universität, München (Germany), and Peter V. Coveney, Centre for Computational Science, University College London (UK)
HPC Platform: SuperMUC of LRZ - Date published: November 2017
More: Rapid and Accurate Calculation of Ligand-Protein Binding Free Energies …

Phenomenology of Strange Resonances

Phenomenology of Strange Resonances

The phenomenology of freeze-out and hadronization in heavy ion collision experiments greatly benefits from the availability of the Hadron Resonance Gas model. This, however, assumes the complete knowledge of the particle spectrum in a broad range. Alas, many of the bound states have not been found yet. In this project, researchers narrow down on the missing states using large scale lattice QCD computations.
  
Principal Investigator: Zoltán Fodor, Bergische Universität Wuppertal (Germany)
HPC Platforms: JUQUEEN of JSC and Hazel Hen of HLRS - Date published: November 2017
More: Phenomenology of Strange Resonances …

Non-Zero Density Simulations in Full QCD

Non-Zero Density Simulations in Full QCD

The simulation of nuclear matter at nonzero baryon density presents a notoriously hard problem in lattice QCD. The usual simulation strategies depend on the exploration of the configuration space by interpreting the weight of each configuration in an average as a probability, which is however not valid here as the weight is non positive. This is called the ‘sign problem’ of nonzero density QCD. In this project the researchers compare two different simulation strategies which evade the sign problem with very different methods.
  
Principal Investigator: Dénes Sexty, Heisenberg Fellow, Bergische Universität Wuppertal (Germany)
HPC Platform: SuperMUC of LRZ - Date published: October 2017
More: Non-Zero Density Simulations in Full QCD …

The Calculation of the Axion Mass from Lattice QCD

The Calculation of the Axion Mass from Lattice QCD

A large part of the universe consists of the so called dark matter. This is a form of matter, that interacts only very weakly with the every day, baryonic matter. A candidate for a dark matter particle is the axion. To increase the chances of detecting such a particle, the knowledge of its properties is important. In this project Lattice QCD is used to determine a mass estimate of the axion. This requires the use of supercomputers as well as the invention of new techniques to reduce the computational cost.
  
Principal Investigator: Zoltán Fodor, Bergische Universität Wuppertal (Germany)
HPC Platform: JUQUEEN of JSC - Date published: October 2017
More: The Calculation of the Axion Mass from Lattice QCD …

Transport in the Gluon Plasma

Transport in the Gluon Plasma

The viscosity of a fluid is a measure of its resistance to deformation by shear stress. One of the least viscous fluids ever observed is that of the quark gluon plasma, created in heavy ion collisions. Nevertheless reliably calculating the equilibrium viscosity of the quark gluon plasma remains to be one of the big open challenges in heavy ion physics. In this project, researchers perform simulations to improve on previous estimates of this important quantity.
  
Principal Investigator: Dénes Sexty, Heisenberg Fellow, Bergische Universität Wuppertal (Germany)
HPC Platform: JUQUEEN of JSC - Date published: October 2017
More: Transport in the Gluon Plasma …

SCBOPT

SCBOPT - Shock Control Bump Optimization

In order to significantly reduce the drag and the environmental impact of future aircraft, considerable effort has to be undertaken in all fields of aircraft design. Besides reducing drag around the cruise condition of typical transport aircraft, it is also of great interest to expand the flight envelope in order to allow for a more flexible design. Understanding the behaviour of a commercial transport aircraft at the limits of its flight envelope, away from its design point, requires either expensive flight testing, tests in sophisticated wind tunnel facilities or advanced computational models. As flight tests are very expensive and take place in a late phase during the development of a new aircraft, when most of the design is already fixed, virtual flight tests, which can be performed iteratively during the design process, would be a preferred alternative.

Principal Investigator: Thorsten Lutz, Aircraft Aerodynamics Group, Institute of Aerodynamics and Gas Dynamics, University of Stuttgart (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: October 2017
More: SCBOPT - Shock Control Bump Optimization …

FS3D – A DNS Code for Multiphase Flows

FS3D – A DNS Code for Multiphase Flows

The subject of multiphase flows encompasses many processes in nature and a broad range of engineering applications such as weather forecasting, fuel injection, sprays, and the spreading of substances in agriculture. To investigate these processes the Institute of Aerospace Thermodynamics (ITLR) uses the direct numerical simulation (DNS) in-house code Free Surface 3D (FS3D). The code is continually optimized and expanded with new features and has been in use for more than 20 years. Investigations were performed, for instance, for phase transitions like freezing and evaporation, basic drop and bubble dynamics processes, droplet impacts on a thin film (“splashing”), and primary jet breakup as well as spray simulations, studies involving multiple components, wave breaking processes, and many other applications.

Principal Investigator: Bernhard Weigand, Institute of Aerospace Thermodynamics, University of Stuttgart (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: October 2017
More: FS3D – A DNS Code for Multiphase Flows …

Understanding Aqueous TMAO Solutions at Very High Pressures

Theoretical Infrared Spectroscopy of Solvated Biomolecules from ab initio Molecular Dynamics: Understanding Aqueous TMAO Solutions at Very High Pressures

Organisms which live under extreme conditions have established adaptation mechanisms during their evolution. One such mechanism with enables life under kbar pressures in deep sea habitats is an unusually high concentration of a specific molecule in their blood, namely TMAO (trimethylamine N-oxide). Yet, the so-called piezolytic mechanism which counteracts such high pressure effects within cells is not understood. As a first step, scientists investigated the properties of aqueous TMAO solutions at very high pressure compared to ambient conditions and find significant changes in the hydrogen bonding properties.

Principal Investigator: Dominik Marx, Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum (Germany)
HPC Platform: SuperMUC of LRZ - Date published: October 2017
More: Theoretical Infrared Spectroscopy of Solvated Biomolecules from ab initio Molecular Dynamics: Understanding Aqueous TMAO Solutions at Very High Pressures …

Direct Numerical Simulation of Airfoil Acoustics

Direct Numerical Simulation of Airfoil Acoustics

The reduction of aeroacoustic noise emissions from technical systems like wind turbines or airplanes is a today’s key research goal. Understanding the intricate interactions between noise generation and flow field requires the full resolution of all flow features in time and space. Thus, very highly resolved unsteady simulations producing large amounts of data are required to get insight into local noise generation mechanisms and to investigate ideas for reduction. These mechanisms have been investigated by researchers at the University of Stuttgart through direct numerical simulation (DNS) of a generic airfoil configuration on Hazel Hen at HLRS. The results help to understand noise generation from turbulent flows and also serve as a benchmark for future studies.

Principal Investigator: Claus-Dieter Munz, Institute of Aerodynamics and Gas Dynamics, University of Stuttgart (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: October 2017
More: Direct Numerical Simulation of Airfoil Acoustics …

Unveiling the Equation of State of Nuclear 1 Matter with Binary Neutron Stars

Unveiling the Equation of State of Nuclear Matter with Binary Neutron Stars

Leveraging the HPC infrastructure of LRZ, researchers at the Goethe University in Frankfurt/Main employ a series of in-house developed cutting-edge numerical methods to simulate in full general relativity the inspiral, merger, and collapse of neutron stars. The computationally intense, fully parallel simulations incorporate relativistic hydrodynamics, nuclear finite-temperature equations of state, and an approximate treatment of neutrino emission and absorption. The results, obtained by measuring gravitational waves, can provide important information on the properties of matter at nuclear densities.
  
Principal Investigators: Filippo Galeazzi, Luciano Rezzolla, Institute for Theoretical Physics, Goethe University Frankfurt (Germany)
HPC Platform: SuperMUC of LRZ - Date published: September 2017
More: Unveiling the Equation of State of Nuclear Matter with Binary Neutron Stars …

Multi-Physics Earthquake Rupture Simulation on Petascale

Multi-Physics Earthquake Rupture Simulation on Petascale

Understanding the physics of earthquake rupture occurring on multiple scales and at depths that cannot be probed directly is a ‘Grand Challenge’ of Earth sciences. Geophysicists at the Ludwig-Maximilians-Universität use the in-house-developed SeisSol earthquake simulation software to improve fundamental comprehension of earthquake dynamics by numerical simulation of complicated wave and rupture phenomena.
  
Principal Investigators: Dr. Alice-Agnes Gabriel, Prof. Heiner Igel, Department für Geo- und Umweltwissenschaften, Geophysik, Ludwig-Maximilians-Universität München (Germany)
HPC Platform: SuperMUC of LRZ - Date published: September 2017
More: Multi-Physics Earthquake Rupture Simulation on Petascale …

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