Erlangen National High Performance Computing Center (NHR@FAU)

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 ALTO: Adaptive Linearized Storage of Sparse Tensors (2021) Helal AE, Laukemann J, Checconi F, Tithi JJ, Ranadive T, Petrini F, Choi J Conference contribution, 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 21-Hydroxypregnane 21-O-malonylation, a crucial step in cardenolide biosynthesis, can be achieved by substrate-promiscuous BAHD-type phenolic glucoside malonyltransferases from Arabidopsis thaliana and homolog proteins from Digitalis lanata (2021) Tropper M, Höhn S, Wolf LS, Fritsch J, Kastner-Detter N, Rieck C, Munkert J, et al. Journal article, Original article Execution-Cache-Memory modeling and performance tuning of sparse matrix-vector multiplication and Lattice quantum chromodynamics on A64FX (2021) Alappat C, Meyer N, Laukemann J, Gruber T, Hager G, Wellein G, Wettig T Journal article, Original article Multiway p-spectral graph cuts on Grassmann manifolds (2021) Pasadakis D, Alappat C, Schenk O, Wellein G Journal article, Original article Analytic Modeling of Idle Waves in Parallel Programs: Communication, Cluster Topology, and Noise Impact (2021) Afzal A, Hager G, Wellein G Conference contribution