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

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 …

Extreme Plasma Acceleration: From the Laboratory to Astrophysics

Extreme Plasma Acceleration: From the Laboratory to Astrophysics

A team of scientists investigated novel positron and ion acceleration schemes towards a future plasma based linear collider and medical applications, novel magnetic field generation mechanisms relevant in astrophysical scenarios, and laser-plasma interaction studies for fusion applications. More: Extreme Plasma Acceleration: From the Laboratory to Astrophysics …

Probing Biological Water With First-Principle Simulations

Probing Biological Water With First-Principle Simulations

A team of researchers from the Johannes Gutenberg-Universität Mainz is currently investigating the structure, vibrational dynamics, and energetics of biological water at the surface of a mini-protein known as Anti-freeze protein. The Anti-freeze protein helps organisms to survive below zero degree Celsius by inhibiting ice growth. More: Probing Biological Water With First-Principle Simulations …

Direct Numerical Simulations of Impeller Driven Turbulence and Dynamo Action

Direct Numerical Simulations of Impeller Driven Turbulence and Dynamo Action

The process, in which a magnetic field is amplified by the flow of an electrically conducting fluid such as liquid metal or plasma, known as dynamo action, is believed to be the origin of magnetic fields in the universe including the magnetic field of the earth. Laboratory experiments using liquid sodium try to investigate the underlying mechanisms More: Direct Numerical Simulations of Impeller Driven Turbulence and Dynamo Action …

Modeling Gravitational Wave Signals From Black Hole Binaries

Numerical Simulation of Binary Black Hole and Neutron Star Mergers

A team of about 20 scientists working in Europe, India, South Africa and the USA have been involved in an Astrophysics simulation project calculated on LRZ system SuperMUC. The obtained results will allow the efficient detection and identification of gravitational wave events, e.g. to tell apart black holes from neutron stars. More: Numerical Simulation of Binary Black Hole and Neutron Star Mergers …

QCDpQED--QCD plus QED and the stability of matter--on JUQUEEN

QCDpQED--QCD Plus QED and the Stability of Matter

The mass of our visible universe is to a very large part provided by the strong nuclear interaction between elementary quarks, as described by the theory of quantum chromodynamics (QCD). In order to understand more deeply not only the origin of the mass of the visible universe but also its composition, tiny differences in the particle masses, especially those of protons and neutrons, are essential. More: QCDpQED--QCD Plus QED and the Stability of Matter …

Massive Parallel Computation of Non-Linear Multi-Field Problems in Terrestrial Systems

Massive Parallel Computation of Non-Linear Multi-Field Problems in Terrestrial Systems

In past decades, high performance computing has become a valuable tool in many fields of environmental science and technology to utilize computational power for better characterization of the complexity of environmental systems as well as predicting their evolution in time. The challenge is to develop efficient numerical schemes and software implementations which can take full advantage of today’s supercomputing platforms. More: Massive Parallel Computation of Non-Linear Multi-Field Problems in Terrestrial Systems …

Numerical Simulation of Aircraft Engine Related Two-Phase Flows

Numerical Simulation of Aircraft Engine Related Two-Phase Flows

Aircraft engines are equipped with airblast atomizers to assure the liquid fuel injection. During airblast atomization a thin liquid film is passed by coflowing air streams, leading to the disintegration of the liquid sheet. The breakup process is still not well understood, especially a detailed insight into the phenomena of primary breakup is a major limitation in understanding these flow systems. More: Numerical Simulation of Aircraft Engine Related Two-Phase Flows …

Controlling Nano-Scale Friction Through Phase Transitions

Controlling Nano-Scale Friction Through Phase Transitions

The ability to control and manipulate frictional forces at the nanoscale is extremely important for technology, being closely tied to progress in transportation, manufacturing, energy conversion, and lubricant consumption, impacting on innumerable aspects of our health and environment. More: Controlling Nano-Scale Friction Through Phase Transitions …

Baryon Structure Using Dynamical QCD Simulations With Physical Values of the Light, Strange and Charm Quark Masses

Baryon Structure Using Dynamical QCD Simulations With Physical Values of the Light, Strange and Charm Quark Masses

A team of international scientists, cooperating under the name European Twisted Mass Collaboration (ETMC), uses supercomputer JUQUEEN of JSC in their efforts to understand the properties of elementary particles such as the proton, which forms most of the ordinary matter around us. More: Baryon Structure Using Dynamical QCD Simulations With Physical Values of the Light, Strange and Charm Quark Masses …

Excited State Artefacts in Calculations of Hadron 3-Point Functions

Excited State Artefacts in Calculations of Hadron 3-Point Functions

Lattice QCD (Quantum Chromodynamics) allows to calculate properties of states which are composed of quarks and gluons, called hadrons. The most important hadrons are proton and neutron, i.e. the nucleons. To obtain this information from Lattice QCD one has to calculate what is called “3-point- functions”. With large computer resources provided such as by SuperMUC scientists were able to do this much more precisely. Furthermore, physical quark masses could be simulated rather than scientists having to rely on extrapolations from simulations with larger than physical quark masses. More: Excited State Artefacts in Calculations of Hadron 3-Point Functions …

Project: Kaon Semi-Leptonic Form Factor

Kaon Semi-Leptonic Form Factor

The CKM-matrix (Cabibbo-Kobayashi-Maskawa) describes the mixing between the mass eigenstates and electro-weak eigenstates of the different quark flavors in the Standard Model of Particle Physics. Scientists leverage the computing power of HPC system SuperMUC for tests of the unitarity of the CKM matrix and therefore also probe the Standard Model of Particle Physics. More: Kaon Semi-Leptonic Form Factor …

Self-Asssembled Porous Media

Self-Assembled Porous Media

Scientists studied the possibility of using the emulsification process of particle-stabilized emulsions to create self-assembled porous media. It was shown that this type of self-assembly can result in highly tuneable systems, which can be optimized for various purposes. More: Self-Assembled Porous Media …

Highly Resolved Simulations of Hemodynamics in Intracranial Aneurysms

Highly Resolved Simulations of Hemodynamics in Intracranial Aneurysms

A significant part of modern mortality is contributed by strokes, caused by the rupture of intracranial aneurysms. The deployment of a flow diverter stent in the parent artery of an aneurysm is a novel and minimally invasive treatment procedure. Numerical simulations of the complex dynamic flow can help to better understand important effects and to optimize the design of such stents. More: Highly Resolved Simulations of Hemodynamics in Intracranial Aneurysms …

Ab Initio Geochemistry of the Deep Earth

Ab Initio Geochemistry of the Deep Earth

Researchers deploy molecular modeling approaches based on quantum mechanics to develop structure models for crystals as well as disordered materials at the conditions of the Earth's lower crust and mantle. Such ab initio simulations also provide a unique access to physical properties and thermodynamic potentials of the respective materials. More: Ab Initio Geochemistry of the Deep Earth …

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