Erlangen National High Performance Computing Center (NHR@FAU)

The Role of Idle Waves, Desynchronization, and Bottleneck Evasion in the Performance of Parallel Programs (2022) Afzal A, Hager G, Wellein G Journal article mRNA lipid nanoparticle phase transition (2022) Trollmann M, Böckmann R Journal article Opening the Black Box: Performance Estimation during Code Generation for GPUs (2021) Ernst D, Hager G, Holzer M, Knorr M, Wellein G Conference contribution, Conference Contribution Computational decomposition reveals reshaping of the SARS‐CoV‐2–ACE2 interface among viral variants expressing the N501Y mutation (2021) Socher E, Conrad M, Heger L, Paulsen F, Sticht H, Zunke F, Arnold P Journal article, Original article Specific engineered G protein coupling to histamine receptors revealed from cellular assay experiments and accelerated molecular dynamics simulations (2021) Höring C, Conrad M, Söldner C, Wang J, Sticht H, Strasser A, Miao Y Journal article, Original article Characterization of a lipid nanoparticle for mRNA delivery using molecular dynamics (2021) Trollmann M, Böckmann R Conference contribution Lipid nanodiscs as a tool to unlock membrane dynamics (2021) Pöhnl M, Böckmann R Conference contribution Mutations in the B.1.1.7 SARS-CoV-2 Spike Protein Reduce Receptor-Binding Affinity and Induce a Flexible Link to the Fusion Peptide (2021) Socher E, Conrad M, Heger L, Paulsen F, Sticht H, Zunke F, Arnold P Journal article Valley filtering in strain-induced α- T3 quantum dots (2021) Filusch A, Bishop AR, Saxena A, Wellein G, Fehske H Journal article YaskSite: Stencil Optimization Techniques Applied to Explicit ODE Methods on Modern Architectures (2021) Alappat C, Seiferth J, Hager G, Korch M, Rauber T, Wellein G Conference contribution, Conference Contribution