A3 Multiscale Modeling and Simulation

Jet printing of colloidal solutions - Numerical modeling and experimental verification of the influence of ink and surface parameters on droplet spreading (2011) Schneider O, Epple P, Teuber E, Meyer B, Jank MPM, Rauh C, Delgado A Journal article On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT + Disp methods for the interaction energies of endohedral complexes of the C60 fullerene with a rare gas atom (2011) Heßelmann A, Korona T Journal article On the molecular mechanisms of the acid-induced dissociation of hydroxy-apatite in water (2011) Hochrein O, Zahn D Journal article DynamO: A free O(N) general event-driven molecular dynamics simulator (2011) Bannerman M, Lue L, Sargant R Journal article, Original article Topological derivatives for networks of elastic strings (2011) Leugering G, Sokolowski J Journal article Collision of viscoelastic spheres: Compact expressions for the coefficient of normal restitution (2011) Müller P, Pöschel T Journal article, Original article Application of the Method of Generating Functions to the Derivation of Grad’s N-Moment Equations for a Granular Gas (2011) Serero D, Noskowicz SH Journal article, Original article Predicting the Effects of Basepair Mutations in DNA-Protein Complexes by Thermodynamic Integration (2011) Beierlein F, Kneale GG, Clark T Journal article The surface trans effect: Influence of axial ligands on the surface chemical bonds of adsorbed metalloporphyrins (2011) Hieringer W, Flechtner K, Kretschmann A, Seufert K, Auswärter W, Barth JV, Görling A, et al. Journal article Adsorption and reaction of SO2 on clean and oxygen precovered Pd(100) - A combined HR-XPS and DF study (2011) Luckas N, Gotterbarm K, Streber R, Lorenz MPA, Höfert O, Vines F, Papp C, et al. Journal article