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Find out about the latest applications running on the GCS supercomputers. For projects from specific research fields, please chose from the list in the left column.

Objective:  To better understand the development of vortical flow structures and the turbulence intensity in the tip-gap of a ducted axial fan.

XXL-Projects on HPC System Hornet

Prior to making the new HLRS supercomputer Hornet available for general use, national scientists and researchers from various fields had been invited to apply large-scale simulation projects on Hornet. Six so called XXL projects from computationally demanding scientific fields such as planetary research, climatology, environmental chemistry, aerospace, and scientific engineering simulation projects put the machine through a demanding endurance test. With each application scaling up to all of Hornet’s available 94,646 compute cores, the projects by far exceeded the calibre of previously performed simulation runs at HLRS. The achieved results more than satisfied the HLRS HPC experts as well as the scientific users: Hornet lived up to the challenge and passed the simulation “burn-in runs” with flying colors. More: XXL-Projects on HPC System Hornet …

XXL-Project on Hornet of HLRS: Ion Transport by Convection and Diffusion

Ion Transport by Convection and Diffusion

A research team of the Institute of Simulation Techniques and Scientific Computing of the Universität Siegen leveraged the petascale computing power of HPC system Hornet for their research project Ion Transport by Convection and Diffusion. This large-scale simulation project stressed the available capacities of the HLRS supercomputer to its full extent as the simulation involved the simultaneous consideration of multiple effects like flow through a complex geometry, mass transport due to diffusion and electrodynamic forces. Goal of this project was to achieve a better understanding of the electrodialysis desalination process in order to identify methods and possibilities of how to optimize it.

Principal Investigator: Sabine Roller, Universität Siegen, Institute of Simulation Techniques and Scientific Computing
HPC Platform: Hornet of HLRS - Date published: May 2015

More: Ion Transport by Convection and Diffusion …

MATHECO - MAntle THErmo-chemical COnvection Simulations

Mantle Thermo-Chemical Convection Simulations (MATHECO)

Scientists of the German Aerospace Center Berlin (DLR) exploited the computing capacity of the petascale system Hornet of HLRS to study the convective dynamics and evolution planetary interiors. The goal of the large-scale simulation project MATHECO (MAntle THErmo-chemical COnvection Simulations), which scaled to 54,000 compute cores of the supercomputer Hornet, was to gain further insights into the cooling history of planets and its influences on volcanic and tectonic surface processes.
  
Principal Investigator: Ana-Catalina Plesa, German Aerospace Center/DLR, Berlin (Germany)
HPC Platform: Hornet of HLRS - Date published: May 2015

More: Mantle Thermo-Chemical Convection Simulations (MATHECO) …

„Iceberg“ von Created by Uwe Kils (iceberg) and User:Wiska Bodo (sky). - (Work by Uwe Kils) http://www.ecoscope.com/iceberg/. Lizenziert unter CC BY-SA 3.0 über Wikimedia Commons - http://commons.wikimedia.org/wiki/File:Iceberg.jpg#/media/File:Iceberg.jpg

H2O@RUNG5 - Enabling the Next Level of Accuracy in First Principles Simulations at Finite Temperature: Double Hybrid DFT and RPA Simulation of Bulk Liquid Water

Despite its abundance and importance, water is still poorly understood. In fact, more than 100 anomalous properties of water are known, water ice floating on liquid water being the most eye-catching one. The origin of the complexity is the subtle forces between water molecules, which derive from electrostatic, repulsive, hydrogen bonding, and van der Waals interactions. Getting the balance between these forces right is key for all of soft matter, and the sensitivity of water makes it the ideal testcase.

Principal Investigator: Joost VandeVondele, Nanoscale Simulations, ETH Zurich (Switzerland)
HPC Platform: Hermit of HLRS - Date published: May 2015
More: H2O@RUNG5 - Enabling the Next Level of Accuracy in First Principles Simulations at Finite Temperature: Double Hybrid DFT and RPA Simulation of Bulk Liquid Water …

Glycosylated epidermal growth factor receptor (EGFR) in a lipid membrane. Glycans attached to glycosylation sites on the extracellular (upper) side of the membrane are rendered as stick models with transparent surfaces.

Unlocking the Role of Lipids in the Activation Mechanism of the Epidermal Growth Factor Receptor (EGFR)

Scientists from the Tampere University of Technology, Finland, have shown the profound importance of glycosylation in membrane receptor conformation. The researchers used extensive atomistic simulations together with biochemical experiments to show for EGFR that receptor conformation depends in a critical manner on its glycosylation.

Principal Investigator: Ilpo Vattulainen, Department of Physics, Tampere University of Technology (Finland)
HPC Platform: Hermit of HLRS - Date published: April 2015

More: Unlocking the Role of Lipids in the Activation Mechanism of the Epidermal Growth Factor Receptor (EGFR) …

Optical Simulations of Thin-Film Solar Cells

Optical Simulations of Thin-Film Solar Cells

Organic Photovoltaics are a promising thin-film solar cell technology since all the constituting layers can be processed from solution processable materials. In order to improve the efficiency of those solar cells it is necessary to optimize their light trapping ability. Different techniques were evaluated in a research project on SuperMUC of LRZ.

Principal Investigator: Christoph Pflaum, Department of Computer Science, University of Erlangen-Nürnberg (Germany)
HPC Platform: SuperMUC of LRZ - Date published: April 2015

More: Optical Simulations of Thin-Film Solar Cells …

Direct Numerical Simulation of the Gravitational Settling of Finite Size Particles in Homogeneous Flow

Direct Numerical Simulation of the Gravitational Settling of Finite Size Particles in Homogeneous Flow

A research project addressed the fundamental mechanisms and processes involved in the dynamics of a large number of rigid particles settling under the influence of gravity in an initially quiescent fluid, as well the characteristics of the particle-induced flow field.

Principal Investigator: Markus Uhlmann, Institute for Hydromechanics, Karlsruhe Institute of Technology/KIT (Germany)
HPC Platform: SuperMUC of LRZ - Date published: April 2015

More: Direct Numerical Simulation of the Gravitational Settling of Finite Size Particles in Homogeneous Flow …

Numerical Simulation of Engine-Inlet Stall at Low Speed Range With Reynolds-Stress Turbulence Models

Numerical Simulation of Engine-Inlet Stall at Low Speed Range With Reynolds-Stress Turbulence Models

One of the major limiting factors of the flight operational range of transport aircraft is the inlet separation of engine. The overall aim of this project is to provide an efficient numerical method able to compute the large range of spectral scales present in flows during the separation process.

Principal Investigator: Daniela Gisele François, Institut für Strömungsmechanik, TU Braunschweig (Germany)
HPC Platform: Hermit of HLRS - Date published: April 2015

More: Numerical Simulation of Engine-Inlet Stall at Low Speed Range With Reynolds-Stress Turbulence Models …

Electron Acceleration in Non-Relativistic Shocks (EAINRS)

Electron Acceleration in Non-Relativistic Shocks (EAINRS)

Observations show that Earth is constantly bombarded by highly energetic particles that are called cosmic rays. A possible explanation for the origin of the cosmic rays as well as their energy distribution is particle acceleration at shock fronts. Several different physical processes take place there, but due to the large astrophysical distances it is, unfortunately, impossible to study these in-situ. One way out is large scale computer simulations.
  
Principal Investigator: Patrick Kilian, Lehrstuhl für Astronomie, Universität Würzburg (Germany)
HPC Platform: Hermit of HLRS - Date published: March 2015

More: Electron Acceleration in Non-Relativistic Shocks (EAINRS) …

MD-Simulations on Strengthening Caused by GP-Zones in Al-Cu Alloys

Molecular Dynamics Simulations on Strengthening Caused by GP-Zones in Al-Cu Alloys

Aluminum alloys are widely used construction materials. A long tradition in metallurgy provides a lot of knowledge concerning the material behavior while different alloying surcharges are added or manufacturing processes are passed through. The strengthening in Aluminum-Copper alloys is based on different mechanisms, which are namely solid solution hardening, precipitate- and grain-boundary-strengthening. To investigate these empirical well known effects on atomistic length scale Molecular Dynamics (MD) simulations are indispensable.

Principal Investigator: Martin Hummel, IMWF, Universität Stuttgart (Germany)
HPC Platform: Hermit of HLRS - Date published: March 2015
More: Molecular Dynamics Simulations on Strengthening Caused by GP-Zones in Al-Cu Alloys …

Lattice QCD Investigations of Nuclear and Hadronic Properties

Lattice QCD Investigations of Nuclear and Hadronic Properties

The typical scale of Quantum Chromodynamics (QCD) is on the level of GeV (giga electron volt), but QCD should also describe nuclear physics, with has a typical scale of MeV (mega electron volt). This three orders of magnitude difference is a precision challenge, which scientists now were able to tackle in the proton-neutron system.

Principal Investigator: Zoltán Fodor, Institut für Theoretische Physik, FB-C, Universität Wuppertal (Germany)
HPC Platform: JUQUEEN of JSC - Date published: March 2015

More: Lattice QCD Investigations of Nuclear and Hadronic Properties …

High-Resolution Climate Predictions and Short-Range Forecasts to Improve the Process Understanding and the Representation of Land-Surface Interactions in the WRF Model in Southwest Germany (WRFCLIM)

High-Resolution Climate Predictions and Short-Range Forecasts to Improve the Process Understanding and the Representation of Land-Surface Interactions in the WRF Model in Southwest Germany (WRFCLIM)

Scientists from the University of Hohenheim (Stuttgart/Germany) aim to investigate and to improve the performance of regional climate simulations in Europe with the Weather Research and Forecast (WRF) model. The model is operated from 12 km down to the convection permitting scale of 3 km, for advancing process understanding.

Principal Investigator: Kirsten Warrach-Sagi, Institute of Physics and Meteorology, University of Hohenheim, Stuttgart (Germany)
HPC Platform: Hermit of HLRS - Date Published: March 2015

More: High-Resolution Climate Predictions and Short-Range Forecasts to Improve the Process Understanding and the Representation of Land-Surface Interactions in the WRF Model in Southwest Germany (WRFCLIM) …

Numerical Simulation of Gravity-Wave Breaking in the Atmosphere

Numerical Simulation of Gravity-Wave Breaking in the Atmosphere

The flow in the earth's atmosphere involves many complex features. One of these features are so-called gravity waves. They become important as soon as they break somewhere in the atmosphere, since this breaking results in a strong patch of turbulence with for no apparent reason. In order to improve the basic understanding of the breaking process, scientists conducted high-resolution simulations of different types of gravity-wave breaking events.

Principal Investigator: Sebastian Remmler, Lehrstuhl für Aerodynamik und Strömungsmechanik, Technische Universität München (Germany)
HPC Platform: Hermit of HLRS - Date published: March 2015

More: Numerical Simulation of Gravity-Wave Breaking in the Atmosphere …

Calculation of Tunneling Splittings of Vibrational Eigenstates of Malonaldehyde

Calculation of Tunneling Splittings of Vibrational Eigenstates of Malonaldehyde

Using the Heidelberg MCTDH package (Multi Configuration Time Dependent Hartree), Heidelberg based scientists investigated the spectral properties of malonaldehyde. The HPC ressources of HLRS in Stuttgart served as computing platform for this project.

Principal Investigator: Hans-Dieter Meyer, Institute of Physical Chemistry, Universität Heidelberg (Germany)
HPC Platform: Hermit of HLRS - Date published: March 2015

More: Calculation of Tunneling Splittings of Vibrational Eigenstates of Malonaldehyde …

Aerodynamic Investigations of Vortex Dominated and Morphing Aircraft Configurations with Active and Passive Flow Control

Aerodynamic Investigations of Vortex Dominated and Morphing Aircraft Configurations with Active and Passive Flow Control

For delta and diamond wing configurations, the flow field is typically dominated by large scale vortex structures, which originate from the wing leading-edges. With increasing angle of attack, the flow structures grow in size and become more and more unsteady. By use of active and passive flow control mechanisms, the vortex characteristics can be manipulated and controlled in some extent.

Principal Investigator: Christian Breitsamter, AER/TU München (Germany)
HPC Platform: SuperMUC of LRZ - Date published: March 2015

More: Aerodynamic Investigations of Vortex Dominated and Morphing Aircraft Configurations with Active and Passive Flow Control …

Dynamics of Multi-component Fluid  Dynamics in Porous Structures

Dynamics of Multi-Component Fluid Dynamics in Porous Structures

Scientists of the University of Rome (“Tor Vergata”) and the University of Eindhoven aimed to perform a systematic investigation of multi-component and/or multi-phase flows dynamics in porous matrices adopting a bottom-up, multi-scale approach, based on a Lattice Boltzmann Method (LBM).

Principal Investigator: Mauro Sbragaglia, University of Roma (Italy)
HPC Platform: Hermit of HLRS - Date published: March 2015

More: Dynamics of Multi-Component Fluid Dynamics in Porous Structures …

DNS/LES Studies of Turbulent Flows Based on the Cumulant Lattice Boltzmann Approach

DNS / LES Studies of Turbulent Flows Based on the Cumulant Lattice Boltzmann Approach

Scientists of the Technische Universität Braunschweig conducts Direct Navier-Stokes (DNS) and Large Eddy Simulation (LES) computations of turbulent flows which explicitly take into account specific pore scale geometries obtained from computer tomography imaging and do not use any explicit turbulence modeling.

Principal Investigator: Manfred Krafczyk, IRMB/TU Braunschweig (Germany)
HPC Platform: Hermit of HLRS - Date published: March 2015

More: DNS / LES Studies of Turbulent Flows Based on the Cumulant Lattice Boltzmann Approach …

On the Gating Mechanism of Ligand-Gated Ion Channels (LGICs)

On the Gating Mechanism of Ligand-Gated Ion Channels (LGICs)

Ligand-gated ion channels (LGIC) play a central role in intercellular communication in the central and peripheral nervous systems as well as in non neuronal cells. Understanding their function at an atomic level of detail will be beneficial for the development of drug therapies against a range of diseases including Alzheimer's disease, schizophrenia, pain, and depression. By capitalizing on the increasing availability of high-resolution structures of both pentameric and trimeric LGICs we aim at elucidating the molecular mechanism underlying activation/deactivation by atomistic Molecular Dynamics (MD) simulations, which is essential to rationalize the design of potent allosteric modulators.

Principal Investigator: Marco Ceccini, ISIS, University of Strasbourg (France)
HPC Platform: SuperMUC of LRZ - Date published: March 2015

More: On the Gating Mechanism of Ligand-Gated Ion Channels (LGICs) …

Aerodynamics and Aeroacoustics of Complex Geometry Hot Jets

Aerodynamics and Aeroacoustics of Complex Geometry Hot Jets

With the projected demand for air transport set to double the world aircraft fleet by 2020 it is becoming urgent to take steps to reduce the environmental impact of take-off noise from aircraft. Scientists from the UK performed highly intensive Large Eddy Simulations (LES) of complex geometry jets with the major emphasis to use the LES CFD approach (Computational Fluid Dynamics) to enable improved prediction and to generate the necessary complex unsteady flow fields needed for acoustic modelling.

Principal Investigator: Richard Jefferson-Loveday, The University of Nottingham (U.K.)
HPC Platform: Hermit of HLRS - Date published: March 2015

More: Aerodynamics and Aeroacoustics of Complex Geometry Hot Jets …

Nano-Gold at the Bio-Interface

Nano-Gold at the Bio-Interface

A a team of scientists of the University of Jyväskylä in Finland leveraged the computing power of HLRS supercomputer Hermit with the aim to study the structure, surface chemistry and functionalization strategies of gold nanoclusters in water - having from a few tens to a few hundreds of gold atoms - and to research their interactions with enteroviruses.

Principal Investigator: Hannu Häkkinen, Nanoscience Center
University of Jyväskylä (Finland)
HPC Platform: Hermit of HLRS - Date published: March 2015

More: Nano-Gold at the Bio-Interface …

Direct Numerical Simulation of the Formation of Subaqueous Sediment Patterns

Direct Numerical Simulation of the Formation of Subaqueous Sediment Patterns

Scientists of the Institute for Hydrodynamics of the Karlsruhe Institute of Technology (KIT) have – for the first time – performed high-fidelity numerical simulations of the formation of sediment patterns in a channel flow configuration.

Principal Investigator: Markus Uhlmann, Institute for Hydrodynamics, Karlsruhe Institute of Technology/KIT (Germany)
HPC Platform: SuperMUC of LRZ - Date published: March 2015

More: Direct Numerical Simulation of the Formation of Subaqueous Sediment Patterns …

Ab Initio Modelling of the Adsorption in Giant Metal-Organic Frameworks: From Small Molecules to Drugs

Ab Initio Modelling of the Adsorption in Giant Metal-Organic Frameworks: From Small Molecules to Drugs

Metal-Organic Frameworks (MOFs) are a new class of materials that in the last decade have seen a paramount growth and are expected to have huge impact on the development of next-generation technologies. They consist of inorganic nodes (i.e. a metal ion or a cluster) connected through organic linkers to form a porous 3D framework. The combination of different nodes and linkers makes MOFs very versatile materials with interesting and promising applications in many fields, including: gas adsorption, catalysis, drug delivery, nonlinear optics.

Principal Investigator: Bartolomeo Civalleri, Department of Chemistry, University of Torino (Italy)
HPC Platform: SuperMUC of LRZ - Date published: March 2015
More: Ab Initio Modelling of the Adsorption in Giant Metal-Organic Frameworks: From Small Molecules to Drugs …

Response of the Atlantic Ocean Circulation to Greenland Ice Sheet Melting

Response of the Atlantic Ocean Circulation to Greenland Ice Sheet Melting

Using the computing capabilities of HLRS system Hermit, a team of scientists used the Community Earth System Model (CESM) with a strongly eddying ocean submodel to study the presence of ocean eddies on the sensitivity of the Meridional Overturning Circulation (MOC) in the Atlantic Ocean to the Greenland Ice Sheet (GrIS) freshwater anomalies.

Principal Investigator: Henk A. Dijkstra, Institute for Marine and Atmosphere Research Utrecht (IMAU), Utrecht University (The Netherlands)
HPC Platform: Hermit of HLRS - Date published: March 2015

More: Response of the Atlantic Ocean Circulation to Greenland Ice Sheet Melting …

Cavitation Phenomena in Diesel Injection Systems

Cavitation Phenomena in Diesel Injection Systems

Modern Diesel injection systems exceed injection pressures of 2000 bar in order to meet current and future emission regulations. By accelerating the flow through an injection nozzle or throttle valve pressure in the liquid can drop below vapor pressure, initiating local evaporation (hydrodynamic cavitation). The advection of vapor cavities into regions where the static pressure of the surrounding liquid exceeds vapor pressure leads to a sudden re-condensation or collapse of vapor cavities. The surrounding liquid is accelerated towards the center of the cavities and strong shock waves are emitted. The resulting pressure loads can lead to material erosion. For optimization of future fuel injectors the ability to predict cavitation and cavitation erosion during early stages of the design is desirable.

Principal Investigator: Christian Egerer, AER/TU München (Germany)
HPC-Platform: SuperMUC (LRZ), Hornet/Hermit (HLRS) - Date published: Feb. 2015

More: Cavitation Phenomena in Diesel Injection Systems …

Aurora – Simulating Cosmic Reionization

Aurora – Simulating Cosmic Reionization

A multi-million compute hours allocation by the Gauss Centre for Supercomputing on HPC system SuperMUC of the Leibniz Supercomputing Centre (LRZ) was used to carry out Aurora, a new set of radiation-hydrodynamical simulations of galaxy formation during reionization.
  
Principal Investigator: Dr. Andreas Pawlik, Max-Planck-Institut für Astrophysik, Garching (Germany)
HPC Platform: SuperMUC of LRZ - Date published: February 2015

More: Aurora – Simulating Cosmic Reionization …

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