Supercomputing and Simulation Science

The Institute for Advanced Simulation unites Simulation Sciences and supercomputing under one roof. Thus, disciplinary, methodic and technological competences can be combined to manage the future challenges in the Simulation Sciences.

Supercomputer JUWELS


Jülich Supercomputing Centre operates computers of the highest performance class. The supercomputers JUWELS and JURECA are currently among the most powerful supercomputers in the world.

Der Dynamik lebender Materie auf der Spur

Life in Motion

Living matter is characterized by activity and energy consumption. What are the structures, dynamics, and collective behaviours, which develop under such non-equilibrium conditions? IAS-2 employs theoretical methods and numerical simulations to address such questions in systems from macromolecules to cells and tissues.


Quantum Information Processing

IAS-3 works at the fundamental level on the theory of quantum information processing, developing new concepts for qubits and multi-qubit modules. 

Protein folded

HPC-based multi-scale molecular simulations

IAS-5/INM-9 develops and applies HPC-based multi-scale molecular simulation tools, along with structural bioinformatics and data science approaches, to investigate molecular processes playing important roles for neuronal (dys-)function. This knowledge is then exploited for in silico ligand design.

Three bottleneck experiments with varying crowdsizes

Crowd and fire dynamics

The subinstitute’s main focus of research is on crowd and fire dynamics in the context of civil engineering and safety science.


Künstlerische Darstellung der atomaren Spitze eines Rastertunnelmikroskops beim Abtasten einer Metalloberfläche mit einem aufgelagerten Kobaltatom.

Researchers Question Fundamental Study on the Kondo Effect

Jülich, 7 January 2021 - The Kondo effect influences the electrical resistance of metals at low temperatures and generates complex electronic and magnetic orders. Novel concepts for data storage and processing, such as using quantum dots, are based on this. In 1998, researchers from the United States published spectroscopic studies on the Kondo effect using scanning tunnelling microscopy, which are considered ground-breaking and have triggered countless others of a similar kind. Many of these studies may have to be re-examined now that Jülich researchers have shown that the Kondo effect cannot be proven beyond doubt by this method. Instead, another phenomenon is creating precisely the spectroscopic “fingerprint” that was previously attributed to the Kondo effect.

Supercomputer JURECA

Concentrated computing power against SARS-CoV-2

The first vaccines authorised for use are raising hopes for an end to the pandemic. What is still missing, however, is an effective cure. In the European joint project EXSCALATE4CORONAVIRUS (E4C), scientists are searching for molecules that block central proteins of the coronavirus. In a recent publication – which resulted from an academic collaboration of scientists consisting of E4C, the “Human Brain Project” and other European research institutions – the team headed by Prof. Giulia Rossetti from Jülich reports a method to predict more precisely which molecules inhibit “Mpro”, the main protease of SARS-CoV-2.