molecular dynamics simulation

Research in the field of 

materials research (Dr. Ivan Kondov)

To understand how the atomic structure of natural and artificial materials as well as biological systems is related to their properties and functions, it is necessary to study how atoms and molecules interact and move in space.

Molecular dynamics provides a mathematical algorithm — and thus a virtual microscope — to simulate the motion of atoms and molecules in order to investigate and predict the properties of complex systems using a computer.

Flow simulation: velocity and particle trajectories

Research in the field of

energy (Dr.- Ing. Jordan Denev)

Complex processes of turbulent flows — such as those occurring around wind turbines or during strong gusts of wind in forests — are investigated using numerical methods that are highly computationally demanding and therefore require the use of supercomputers.

Processes involving heat transfer, such as those found in solar power plants or gas turbines, represent another focus of our research. Fine dust particles and aerosols — whether in indoor environments, classrooms, or industrial facilities — which can affect human health, are also an integral part of our numerical modeling.

chemistry-climate simulations with EMAC

Research in the field of

climate and environment (Dr. Ole Kirner)

The focus of the Simulation and Data Lab Earth System Science is on High Performance Computing (HPC) and Data Intensive Computing (DIC) in the field of atmospheric and environmental sciences. Among other activities, current model systems such as Earth system models are supported and operated on our supercomputers, enabling, for example, chemistry–climate simulations.

Within the project Simulated Worlds, one of these long-term simulations (covering the period from 1950 to 2100) is analyzed using Python with regard to climate change — optionally also concerning the development of the ozone layer.

Research in the field of

quantencomputing (Dr. Eileen Kühn)

With the availability of quantum computers, new possibilities arise for solving many mathematical and physical problems. Based on quantum mechanical states involving superposition and entanglement of so-called qubits, quantum algorithms can be designed, for example, for searching large data sets or factoring large numbers — solving these problems more efficiently than classical algorithms.

However, practical applications are still limited by the availability, number, and susceptibility to noise of qubits. Therefore, we explore how algorithms for quantum computers are designed and programmed, and how simulations differ from the results obtained on real quantum computers.

Research in the field of

high-energy physics (Dr. Manuel Giffels)

Particle accelerators such as the Large Hadron Collider (LHC) at CERN in Geneva bring protons to collide at extremely high energies. In these collisions, new particles are created from the released energy. To analyze such collision events, comparisons with various theoretical models using Monte Carlo simulations are essential in order to identify the models that best describe the underlying physical processes.

As part of the Simulated Worlds project, you will have the opportunity to independently carry out a Monte Carlo simulation and a simplified analysis of the decay of the Z boson on supercomputers.