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Early Access Applications

Computing time on the JUWELS booster is precious. Already during the first test phase in late summer and autumn of this year, the first applications ran on the system. The so-called "Early Access Applications" provide useful information for code optimization and   first scientific results.

Pharmaceutical research

Graphisches Modell

Amber – Studying drug binding over biologically relevant timescales

The performance of the JUWELS Booster module and the efficient GPU-accelerated MD method implemented in the Amber software allows for simulating temporal resolutions that cover biologically relevant timescales.

More: Amber – Studying drug binding over biologically relevant timescales …

Atmospheric Science and Climate Research

Temperaturkarte

DeepACF – High-resolution weather forecast based on deep learning

DeepACF explores the utilization of state-of-the-art deep learning techniques to create weather predictions. These techniques potentially offer several benefits and may ultimately lead to improved weather forecasts with benefits for civil safety, agriculture, logistical planning, and many other application areas.

More: DeepACF – High-resolution weather forecast based on deep learning …

Vergleich von Satellitendaten und Simulationsdaten

ICON – Next-Generation Physical Weather and Climate Models

The JUWELS booster module for the first time offers the resources required to simulate cloud forms of so-called shallow convection on a global scale. An important prerequisite for simulating these processes is the up-to-date development of the ICON model, which enables the use of high-performance graphics processing units (GPUs) – similar to the ones installed in the JUWELS booster module – on a large scale.

More: ICON – Next-Generation Physical Weather and Climate Models …

MPTRAC

MPTRAC – Massive Parallel Trajectory Calculations of Volcanic Emissions

With the use of the MPTRAC code, sulfur dioxide (SO2) sources can be identified and the paths of the climate gas in the upper atmosphere can be reconstructed in 3D injection time series. The simulations are based on global satellite data of SO2 released by industrial plants and volcanoes.

More: MPTRAC – Massive Parallel Trajectory Calculations of Volcanic Emissions …

Earth and Environment

ParFlow Teaser

ParFlow - Simulating Surface, Soil and Ground Water Flow

ParFlow simulates surface, soil and ground water flow including anthropogenic impacts, such as ground water pumping and irrigation. The special features and size of JUWELS Booster will, for the first time, afford terrestrial simulations over Europe at the required resolution resolving explicitly individual hillslopes and river corridors, which are key in the local variability of the water cycle that is of interest to scientists and stakeholders.

More: ParFlow - Simulating Surface, Soil and Ground Water Flow …

Astrophysics

NBODY6++GPU Teaser

NBODY6++GPU – Dense Star Clusters and Gravitational Waves

Since it has been possible to detect gravitational waves with detectors such as LIGO and Virgo, scientists plan to use gravitational waves to study astronomical objects. When NBODY6++GPU will run on JUWELS Booster, the machine allows for the first time a complete simulation of typical gravitational wave sources in dense star clusters in the Local Universe.

More: NBODY6++GPU – Dense Star Clusters and Gravitational Waves …

Quantum Information Processing

Grafik von Flugrouten

JUQCS-G – Simulating a Universal Quantum Computer

Reproducing the computing steps of a universal quantum computer on conventional, classical digital computers is a great challenge. Performing computations with such a large amount of memory and processors requires software that makes efficient use of the parallel/modular architecture of present day supercomputers. JUQCS-G is a massively-parallel quantum computer simulator designed to make efficient use of the available memory, computational power and communication network.

More: JUQCS-G – Simulating a Universal Quantum Computer …

Materials Science

Graphisches Modell

SOMA: Studying the kinetics of nanomaterial formation

The simulation tool SOMA can simulate the microphase separation of soft polymer materials. It was designed from the start for systems like the JUWELS Booster. The core computational task is optimized for the execution on multiple GPUs, hence the high density of GPUs on the JUWELS Booster system is ideal for SOMA. 

More: SOMA: Studying the kinetics of nanomaterial formation …

Neurosciences

Example of a neural circuit for the simulation of learning processes.

E-train – Understanding Learning Processes in the Brain

In spite of extensive research, a clear account on how the human brain can learn computationally demanding tasks largely remains a mystery. The high performance hardware elements that are employed by the JUWELS Booster provide an unprecedented opportunity that renders learning tractable for large models of cortical columns and brain areas for the first time.

More: E-train – Understanding Learning Processes in the Brain …

Plasma Physics

PIConGPU Simulation

PIConGPU – Plasma simulations for next generation particle accelerators

PIConGPU is an Open Source simulations framework for plasma and laser-plasma physics used to develop advanced particle accelerators for radiation therapy of cancer, high energy physics and photon science. The code calculates the relativistic dynamics of electron, protons and ions in electric and magnetic fields, while taking into account ionization, particle collisions, radiation.

More: PIConGPU – Plasma simulations for next generation particle accelerators …

Elementary Particle Physics

Graphisches Modell

Flavour Singlet Structure of Hadrons – exploring fundamental questions of particle physics

This particular project will focus on the question how quarks and gluons are distributed inside protons and neutrons and other QCD bound states, so called hadrons. One can ask the question, for instance, how the total momentum or the total spin of the hadron is distributed among the quarks and gluons. The answers to such questions are highly relevant theoretically, but also for the ongoing experiments, for instance at CERN.  

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Graphik SignQCD

SignQCD – Studying the hottest man-made liquid

SignQCD simulates the most extreme form of matter we can create in the laboratory, the quark gluon plasma, a form of liquid governed by the interactions between the elementary constituents of atomic nuclei: quarks and gluons. The special features of JUWELS Booster make it possible for the first time, to study this form of matter by direct simulations at finite – albeit small – quark densities, thus opening a completely new avenue of computational investigations and enriching our knowledge of the QCD phase diagram.

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Schematisches Phasendiagramm der QCD

HotQCD – Studying extreme states of matter

The HotQCD research program aims at an understanding of the phase-structure of strongly interacting matter as well as its equilibrium properties.

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Graphik Charm-Baryonen

Baryons with Charm

Matter interacts through electromagnetic, weak, strong and gravitational forces. The former three form the Standard Model of Particle Physics. We know that this model, which in fact is a theory, is incomplete. Comparison between ever more precise theoretical predictions and experimental data will eventually enable the discovery of new, Beyond-the-Standard-Model physics.

More: Baryons with Charm …