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Find out about the latest applications running on the GCS supercomputers.

XXL-Projects on HLRS HPC System Hornet

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 …

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. 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. More: Aurora – Simulating Cosmic Reionization …

High-amplitude Fluctuations of Velocity and Temperature Gradients in Turbulent Convection

High-Amplitude Fluctuations of Velocity and Temperature Gradients in Turbulent Convection

An international team of scientists conducted high-precision spectral element simulations which resolved the fine-scale structure of turbulent Rayleigh-Bénard convection, in particular the statistical fluctuations of the temperature and velocity gradients. More: High-Amplitude Fluctuations of Velocity and Temperature Gradients in Turbulent Convection …

Numerical Determination of the Phase Diagram of Nuclear Matter

Numerical Determination of the Phase Diagram of Nuclear Matter

Using GCS HPC system resources, scientists of the Institute for Theoretical Physics of the Goethe-Universität in Frankfurt/Germany are performing extensive simulations to theoretically predict the properties of the phase transition from nuclear matter to a quark gluon plasma state. More: Numerical Determination of the Phase Diagram of Nuclear Matter …

The Mechanisms of Vision Studied by Quantum Monte Carlo Calculations

The Mechanisms of Vision Studied by Quantum Monte Carlo Calculations

In the rod cells of the eyes of vertebrates, a special protein, named Rhodopsin, is responsible for the detection of the light and is directly involved in the activation of the signaling cascade that triggers the nervous pulses of the retina. The deep understanding of the early mechanisms of light vision goes beyond the scientific interest as it is also an important issue for the rationalization of many retina diseases. More: The Mechanisms of Vision Studied by Quantum Monte Carlo Calculations …

Multiscale Modelling of Particles in Suspension

Multiscale Modelling of Particles in Suspension

A team of scientists from Germany, UK, US and Spain have developed a multiscale particle methods framework based on Smoothed Particle Hydrodynamics (SPH) and the stochastic Smoothed Dissipative Particle Dynamics (SDPD) to simulate the complex dynamics of submicron-sized colloidal and large non-colloidal particles suspended in Newtonian and non-Newtonian fluids. More: Multiscale Modelling of Particles in Suspension …

A New Neutrino-Emission Asymmetry in Forming Neutron Stars

A New Neutrino-Emission Asymmetry in Forming Neutron Stars

The Stellar Core-Collapse Group at the Max Planck Institute for Astrophysics (MPA) is able to conduct the presently most advanced 3D supernova simulations thanks to a suitably constructed description of the neutrino physics and a highly efficient, extremely well parallelized numerical implementation on petascale system SuperMUC. More: A New Neutrino-Emission Asymmetry in Forming Neutron Stars …

The Allosteric Effect of the SH2 Domain on Abl Kinase Activation

The Allosteric Effect of the SH2 Domain on Abl Kinase Activation

Protein kinases are the key enzymes that control most cellular activities. A kinase that fails to work properly can therefore cause severe damage to the organism, causing diverse diseases including cancer. It is therefore highly desirable to develop drugs that modulate the activity of specific protein kinases. More: The Allosteric Effect of the SH2 Domain on Abl Kinase Activation …

Many-Body Dynamics of Ultracold Bosons

Project Many-Body Dynamics of Ultra-Cold Bosons

Scientists apply and further develop the multiconfigurational time-dependent Hartree method for bosons (MCTDHB), an in principle exact description of systems of interacting ultracold bosonic atoms. Leveraging the vast computing power of the HLRS supercomputer environment they were able to discover a new mode of angular momentum in interacting two-dimensional many-body systems: the phantom vortex. Phantom vortices are an interesting way how many-body systems can obscure angular momentum from detection as a topological defect in their correlations, but not the density -- making them elude experimental detection so far. Phantom vortices are likely to be of importance for the physics of superconductors in a magnetic field or the flow of superfluid Helium. More: Project Many-Body Dynamics of Ultra-Cold Bosons …

A Lattice QCD Calculation of Vector Meson Decay Constants

A Lattice QCD Calculation of Vector Meson Decay Constants

Leveraging the computing power of HPC system JUQUEEN of Jülich Supercomputing Centre, researchers from Bergische Universität Wuppertal (BUW) are using lattice quantumchromodynamics (QCD) to calculate vector meson decay constants fV , where V represents a vector meson such as ρ, ω, φ, etc. More: A Lattice QCD Calculation of Vector Meson Decay Constants …

From Atoms to Eddies: Predictive-Quality Surface Reaction Chemistry in Real Reactor Models

From Atoms to Eddies: Predictive-Quality Surface Reaction Chemistry in Real Reactor Models

A team of scientists of the Technische Universtität München employed an instantaneous steady-state approximation to present steady-state reactivity data from kinetic Monte Carlo (kMC) simulations in the form of an interpolated data field as boundary conditions for the computational fluid dynamics simulation.Their goal was to test the capability of the code in managing complex computational domains, thus allowing for the first time to extend kMC simulations to geometries and conditions relevant to technological applications. More: From Atoms to Eddies: Predictive-Quality Surface Reaction Chemistry in Real Reactor Models …

Unravelling the Influence of Protein Dynamics on Molecular Recognition

Unravelling the Influence of Protein Dynamics on Molecular Recognition

Using Petascale system SuperMUC of the Leibniz Supercomputing Centre in Garching/Munich, scientists conducted simulations of mutated proteins to quantify and understand the mechanism of the change in population of binding compatible versus non-compatible states. This resulted in a predicted change in binding affinity which is a property that can be validated experimentally. More: Unravelling the Influence of Protein Dynamics on Molecular Recognition …

Shock Acceleration in the Laboratory with Ultraintense Lasers

Shock Acceleration in the Laboratory with Ultraintense Lasers

A team of researchers has performed the largest simulations of unmagnetised shocks driven in astrophysical conditions to determine the parameters required to excite shocks in the laboratory, and studied the set of complex and nonlinear phenomena involved in these scenarios, such as magnetic field generation and particle acceleration. More: Shock Acceleration in the Laboratory with Ultraintense Lasers …

PAMOP: Petascale Computations for Atomic and Molecular Collisions

Petascale Computations for Atomic and Molecular Collisions

Research efforts of an international group of scientists from Germany, the UK, and the US focus on the development of computational methods to obtain quantities that can be measured from the equations of motion that arise for atoms and molecules interacting with electrons or light within a fully quantum description. More: Petascale Computations for Atomic and Molecular Collisions …

Morphology – Transport Relationships for Packed Columns

Morphology–Transport Relationships for Packed Columns

By simulating fluid flow through computer-generated, confined sphere packings, a team of scientists from the Department of Chemistry at the Philipps-Universität Marburg correlate morphological parameters with transport coefficients. More: Morphology–Transport Relationships for Packed Columns …

Cellular Logistics Controlled by Disordered FG-Nucleoporins

From Biomolecular Structures to Thermodynamic Ensembles: Cellular Logistics Controlled by Disordered FG-Nucleoporins

The structural characterization of disordered proteins is an inherently under-determined problem: a small number of restraints are insufficient to uniquely define the conformations of a system with thousands of degrees of freedom. Molecular simulations, with their empirical force fields, can offer the additional information required to obtain conformational ensembles for disordered states of proteins. However, these simulations must contend with a massive sampling problem, which was successfully achieved by a team of scientists of the Max Planck Institute for Biophysical Chemistry in Göttingen using HPC system SuperMUC. More: From Biomolecular Structures to Thermodynamic Ensembles: Cellular Logistics Controlled by Disordered FG-Nucleoporins …

Chiral Symmetry and Topological Properties in Lattice QCD With Wilson Twisted Mass Quarks

Chiral Symmetry and Topological Properties in Lattice QCD With Wilson Twisted Mass Quarks

Quantum Chromodynamics (QCD) represents the nowadays widely accepted theory describing the interaction of quarks and gluons. QCD is expected to show a very similar phenomenon like the magnetisation of a ferromagnet, just that the magnetisation is called chiral condensate and the equivalent of the external magnetic field is a finite quark mass. Theoretical physicists of the Deutsches Elektronen-Synchrotron (DESY) and the Rheinische Friedrich-Wilhelms-Universität Bonn evaluated for the first time the chiral condensate using lattice QCD with dynamical up, down, strange and charm quarks and, therefore, confirm the expectation. More: Chiral Symmetry and Topological Properties in Lattice QCD With Wilson Twisted Mass Quarks …

Numerical Investigation of Complex Multiphase Flows With Lagrangian Particle Methods

Numerical Investigation of Complex Multiphase Flows With Lagrangian Particle Methods

Scientists of the Institute of Aerodynamics and Fluid Mechanics of the Technische Universität München have developed a smoothed particle hydrodynamics (SPH) method to simulate complex multiphase flows with arbitrary interfaces and included a model for surface active agents. More: Numerical Investigation of Complex Multiphase Flows With Lagrangian Particle Methods …

Multi-Species Reaction-Diffusion in Complex Geometries

Multi-Species Reaction-Diffusion in Complex Geometries

The cold combustion in fuel cells is a promising alternative energy technology that does not produce greenhouse gases. One of the main problems of solid oxide fuel cells (SOFC) that reduces the efficiency dramatically is the chromium poisoning. More: Multi-Species Reaction-Diffusion in Complex Geometries …

SILCC: Simulating the Life Cycle of Molecular Clouds

Simulating the Life Cycle of Molecular Clouds

A European team of scientists from Cologne, Garching, Heidelberg, Prague and Zurich used GCS HPC resources to model representative regions of disk galaxies using adaptive, three-dimensional simulations at unprecedented resolution and with the necessary physical complexity to follow the full life-cycle of molecular clouds. They aim to provide a self-consistent answer as to how stellar feedback regulates the star formation efficiency of a galaxy, how molecular clouds are formed and destroyed, and how galactic outflows are driven. More: Simulating the Life Cycle of Molecular Clouds …

Magnetic Fields During Primordial Star Formation

Magnetic Fields During Primordial Star Formation

Using GCS HPC resources, a group of scientist from a number of international institutes were able to prove that very weak magnetic fields can be efficiently amplified during different stages of cosmic evolution. More: Magnetic Fields During Primordial Star Formation …

Exploring the Parameter Space of Thermonuclear Supernovae

Exploring the Parameter Space of Thermonuclear Supernovae

Type Ia supernovae, gigantic astrophysical explosions that completely disrupt one star and shine brighter than an entire galaxy consisting of 100 billion stars, have been successfully used to measure distances in the Universe. But what are the stars that give birth to Type Ia supernovae? The answer to this question remains elusive despite advances in modelling and observing these cosmic events over the past decades. From the perspective of theoretical modelling, only detailed multi-dimensional simulations of the explosion process on the most powerful supercomputers offer a way to tackle this long-standing problem. More: Exploring the Parameter Space of Thermonuclear Supernovae …

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