A3 Multiscale Modeling and Simulation

Density functional calculations and IR reflection absorption spectroscopy on the interaction of SO2 with oxide-supported Pd nanoparticles (2010) Luckas N, Vines Solana F, Happel M, Desikusumastuti A, Libuda J, Görling A Journal article, Original article Sodium effect on self-organization of amphiphilic carboxylates: Formation of structured micelles and superlattices (2010) Rosenlehner K, Schade B, Böttcher C, Jäger C, Clark T, Heinemann FW, Hirsch A Journal article, Original article Self-assembly of structurally persistent micelles is controlled by specific-ion effects and hydrophobic guests (2010) Jäger C, Hirsch A, Schade B, Ludwig K, Böttcher C, Clark T Journal article, Original article Ordering aspects and intramolecular conformation of tetraphenylporphyrins on Ag(111) (2010) Buchner F, Kellner I, Hieringer W, Görling A, Steinrück HP, Marbach H Journal article Interfacial energy estimation in a precipitation reaction using the flatness based control of the moment trajectories (2010) Vassilev V, Gröschel M, Schmid HJ, Peukert W, Leugering G Journal article Basic aspects of phase changes under high pressure (2010) Delgado A, Kulisiewicz L, Rauh C, Benning R Journal article Analytical considerations and dimensionless analysis for a description of particle interactions in high pressure processes (2010) Rauh C, Delgado A Journal article Communication: Mode-selective vibrational excitation induced by nonequilibrium transport processes in single-molecule junctions (2010) Härtle R, Volkovich R, Thoss M, Peskin U Journal article waLBerla: Optimization for Itanium-based Systems with Thousands of Processors (2010) Donath S, Götz J, Feichtinger C, Iglberger K, Rüde U Conference contribution Influence of surface tension and inner pressure on the process of fibre drawing (2010) Luzi G, Epple P, Scharrer M, Fujimoto Meinecke K, Rauh C, Delgado A Journal article