A3 Multiscale Modeling and Simulation

Amphiphilic Perylene-Calix[4]arene Hybrids: Synthesis and Tunable Self-Assembly (2015) Rodler F, Schade B, Jaeger CM, Backes S, Hampel F, Boettcher C, Clark T, Hirsch A Journal article Reversible Hydrogenation of Graphene on Ni(111)-Synthesis of ’Graphone’ (2015) Zhao W, Gebhardt J, Späth F, Gotterbarm K, Gleichweit C, Steinrück HP, Görling A, Papp C Journal article Scale adaptive simulation of bubble column flows (2015) Masood RMA, Khalid YN, Delgado A Journal article From oligomers towards a racemic crystal: molecular simulation of DL-norleucine crystal nucleation from solution (2015) Ectors P, Duchstein P, Zahn D Journal article Two-Step Nucleation Rather than Self-Poisoning: An Unexpected Mechanism of Asymmetrical Molecular Crystal Growth (2015) Ectors P, Anwar J, Zahn D Journal article Thermodynamics and Kinetics of Prenucleation Clusters, Classical and Non-Classical Nucleation (2015) Zahn D Journal article The Molecular Mechanism of α-Resorcinol's Asymmetric Crystal Growth from the Melt (2015) Ectors P, Sae-Tang W, Chatchawalsaisin J, Zahn D, Anwar J Journal article Molecular Mechanisms of [Bi6O4(OH)4](NO3)6 Precursor Activation, Agglomeration, and Ripening towards Bismuth Oxide Nuclei (2015) Walther M, Zahn D Journal article Molecular Mechanisms of ZnO Nanoparticle Dispersion in Solution: Modeling of Surfactant Association, Electrostatic Shielding and Counter Ion Dynamics (2015) Duchstein P, Milek T, Zahn D Journal article Molecular modeling of (1010) and (0001) zinc oxide surface growth from solution: islands, ridges and growth-controlling additives (2015) Milek T, Zahn D Journal article