LRZ Bio-Lab – We are in close contact with the colleagues at LRZ about licensing questions, optimized build settings and software support in general as well as the selection of optimal hardware platforms.
Excellence Cluster “Engineering of Advanced Materials” (EXC315): Funding period: 2007–2018;
HPC-relevant projects: Research Area A3 (Modeling and Simulation) with about 10 participating groups (Profs. Bitzek, Clark, Görling, Meyer, etc.). Research Area A3 (Modeling and Simulation, M&S) established interdisciplinary expertise in both atomistic and continuum simulation methods over multiple scales. ZISC is the continuation of A3, in which the interdisciplinary character of M&S at FAU was established.
GRK1910 “Medicinal Chemistry of Selective GPCR Ligands” (together with Uni Regensburg): Funding period: 2013–2022; HPC-relevant project at FAU: A6 (Clark): Understanding the principles of selectivity by homology modeling and simulation of ternary complexes; A8 (Sticht): Effect of GPCR sequence variability on ligand binding properties. Metadynamics-based MD simulations play a major role in GRK 1910. The project pr74su (Clark, Sticht, Hildebrand, Leipzig) has been allocated almost 100 million core hours on SuperMUC and SuperMUC-NG.
SolarTechnologies go Hybrid (SolTech), a joint program between five Bavarian Universities funded by the Bavarian State Government: Funding period: 2011–2022; 2 HPC-relevant projects at FAU: Clark, Görling. Prof. Clark is a member of the executive committee and FAU coordinator of Soltech, in which Modeling and Simulation using HPC plays a major role, especially at FAU, the University of Bayreuth and the TU Munich.
SFB 1394 “Structural and Chemical Atomic Complexity: From Defect Phase Diagrams to Materials Properties” (located at RWTH Aachen): Funding period: 2020–2023; HPC-relevant project: A2 (Bitzek): Atomistic simulations of dislocation processes