High-performance computing: supercomputers driving innovation
The ‘Noctua 2’ and ‘Otus’ supercomputer form the heart of Paderborn University’s high-performance computing centre. Researchers across the country use the computing capacity of high-performance computer systems to run computer simulations and conduct scientific enquiry at the highest level. High-performance computing (HPC) is used for a variety of disciplines including quantum, climate and pharmaceutical research.
Latest update: At the ISC in Hamburg, the international trade fair for high performance computing (HPC), artificial intelligence, data analytics and quantum computing, “Otus” made it to number 5 of the so-called “Green 500”, the list of the world's most efficient computer systems. The “Green 500” and “Top 500” rankings are regarded as top indicators in scientific and IT circles. While the “Top 500” is exclusively concerned with speed, the “Green 500” ranks speed in relation to electrical power consumption. This results in a measure of energy efficiency.
High-performance computing as a key technology for numerous scientific disciplines
A total of 140,000 compact cores in the ‘Noctua 2’ supercomputer in Paderborn have been working on highly complex tasks since the beginning of 2022. ‘Otus’, which will be launched in the third quarter of 2025, even has twice the computing power of the previous Noctua system. It offers 142,656 processor cores, 108 GPUs, AMD processors of the current “Turin” generation and an IBM Spectrum Scale file system with five petabytes of storage capacity. The computers are operated by the Paderborn Center for Parallel Computing PC2, an interdisciplinary research institute within the university. Its skills lie in calculating atomistic simulations, computational physics and optoelectronics. Various computer programs have also been developed and put to use in Paderborn for this purpose.
A supercomputer is like a time machine, as researchers can use it to calculate something that would take ten years with conventional computers. They can then take efficient advantage of this head start to devote their efforts to topics relevant to our society – such as sustainable energy technology. For example, researchers can use ‘Noctua 2’ and ‘Otus’ like a microscope to examine things more closely – with the difference being that they can view individual atoms and their interactions, i.e. even better than any microscope in any laboratory. And the whole thing moves extremely quickly: numerous simulations can be run within a very short period of time, enabling millions of structures to be tested. This deeper insight into processes helps us understand how particular chemical reactions operate on an atomic level, for example.
Sustainable energy systems
The questions being tackled by Paderborn’s supercomputers are wide-ranging. This research focuses on areas such as sustainable energy conversion by solar cells, quantum systems, and climate-friendly water splitting to produce hydrogen. In photocatalytic water splitting, the energy from sunlight is used to obtain hydrogen – a key building block for the energy revolution. Catalysts can be used in this process to speed it up, make it more efficient and obtain more hydrogen. But which catalyst is the best? Using the computer programs developed in Paderborn, researchers are firstly seeking to observe whether certain catalysts work more or less effectively, and secondly hoping to find new connections that they can then manufacture in a laboratory themselves and that will be more efficient than the catalysts already in use. Another example is tandem solar cells, whose individual layers can efficiently convert the energy from sunlight and are also translucent, enabling light to reach the second and in some cases even the third layer and be put to use. The researchers are thus seeking to increase the efficiency of cells. Using ‘Noctua 1’, the predecessor to the current supercomputer, Paderborn University’s researchers were able to propose various materials for tandem solar cells with an efficiency rate of 23 percent.
HPC and quantum computers
Simulations allow deep insights into complex systems and are often crucial for scientific breakthroughs. In order to fully utilise the potential of modern computing systems, Paderborn scientists want to establish a hybrid model: They are combining quantum computing and Simulations offer in-depth insights into complex systems and are often key to scientific breakthroughs. To comprehensively tap the full potential of modern computing systems, Paderborn’s researchers are seeking to establish a hybrid model that combines quantum computing and supercomputing, i.e. HPC. As information processing happens in parallel, tasks can be completed more quickly. Parallel structures are available for this, each looking after an individual work package. High-performance computing, like quantum computing, is used to research the physical fundamentals of quantum states. Quantum states are also used to enable faster and faster computing. However, this research is in its infancy. With Noctua, Otus and the expertise of individuals such as physicists, computer scientists, mathematicians and engineers, Paderborn’s researchers are inching towards this goal as each day passes.
