HPC Research Cluster (bwFORCluster Justus 3)

• Term: Funded in 2024
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 533954541

The HPC research cluster JUSTUS 3 applied for here is a successor system to the Tier-3 research cluster JUSTUS 2 for computational chemistry and quantum sciences, which has been in operation at the University of Ulm since July 2020. The bwForCluster JUSTUS 2 is part of the implementation concept of the universities of the state of Baden-Württemberg for high-performance computing (bwHPC) and is available state-wide to all scientists from the above-mentioned disciplines. The hardware equipment, the portfolio of scientific software and the operating model of JUSTUS 2 have been optimally adapted to this intended use in order to achieve a high efficiency of the specific applications in this scientific field. Following the DFG's subject classification system, the system supports research groups from the fields of chemistry, quantum physics and theoretical condensed matter physics, also in the context of cross-state multidisciplinary research networks with long-term research projects. The focal points range from research into new battery materials and technology concepts for sustainable energy storage, the development of quantum-based technologies, the modeling of materials with specific quantum mechanical properties and their applications in areas such as quantum sensors and quantum computers, to quantum-mechanical molecular interactions and computational design of biologically active compounds in the active compounds in the context of biochemical drug discovery. The currently operated system will have reached its intended and technically and economically reasonable operational lifetime in 2025. The objective of the present application is to be able to guarantee reliable research operations with high availability and, as far as possible, demand-oriented capacity of computing resources with a successor system beyond the year 2025. Without renewal of the infrastructure with simultaneous adaptation of new technology trends (also with regard to energy efficiency), it will not be possible to continue or implement, among other things, the research projects at the universities of the state of Baden-Württemberg described in chapter 3 of the application. The large number of scientists contributing to the present proposal clearly demonstrates the high importance of supporting the state-wide research projects. The large number of scientists contributing to the present proposal clearly demonstrates the high importance, the state-wide need and the broad support from the scientific community for the proposed replacement system, which at the same time represents a pillar for the continuation of the successful state concept for high-performance computing at the Tier-3 level in the state of Baden-Württemberg (bwHPC).

• DFG Programme: Major Research Instrumentation
• Major Instrumentation: HPC Forschungscluster (bwForCluster Justrus 3)
• Instrumentation Group: 7040 Vektorrechner
• Applicant Institution: Universität Ulm
• Leader: Professor Dr. Joachim Ankerhold