A3 Multiscale Modeling and Simulation

Determination of the two-dimensional distributions of gold nanorods by multiwavelength analytical ultracentrifugation (2018) Wawra S, Pflug L, Thajudeen T, Kryschi C, Stingl M, Peukert W Journal article A combined parametric shape optimization and ersatz material approach (2018) Stingl M, Wein F Journal article, Original article Material optimization in transverse electromagnetic scattering applications (2018) Semmler J, Pflug L, Stingl M Journal article, Original article Spectroscopic Observation and Molecular Dynamics Simulation of Ga Surface Segregation in Liquid Pd-Ga Alloys (2017) Grabau M, Erhard J, Taccardi N, Krick Calderon S, Wasserscheid P, Görling A, Steinrück HP, Papp C Journal article Charge Transport in Organic Materials: Norm-Conserving Imaginary Time Propagation with Local Ionization Energy as the External Potential (2017) Kriebel M, Sharapa D, Clark T Journal article Adsorption Behavior of a Cyano-Functionalized Porphyrin on Cu(111) and Ag(111): From Molecular Wires to Ordered Supramolecular Two-Dimensional Aggregates (2017) Lepper M, Schmitt T, Gurrath M, Raschmann M, Zhang L, Stark MW, Hölzel H, et al. Journal article Simulation of charge transport in organic semiconductors: A time-dependent multiscale method based on nonequilibrium Green's functions (2017) Leitherer S, Jager CM, Krause A, Halik M, Clark T, Thoss M Journal article Influence of Tail Groups during Functionalization of ZnO Nanoparticles on Binding Enthalpies and Photoluminescence (2017) Segets D, Lin W, Schmidt J, Peukert W, Mahler M, Schindler T, Unruh T, Meyer B Journal article, Original article Structural basis for the shielding function of the dynamic trypanosome variant surface glycoprotein coat (2017) Bartossek T, Jones NG, Schafer C, Cvitkovic M, Glogger M, Mott HR, Kuper J, et al. Journal article, Original article Model Catalytic Studies of Novel Liquid Organic Hydrogen Carriers: Indole, Indoline and Octahydroindole on Pt(111) (2017) Schwarz M, Bachmann P, Nascimento Silva T, Mohr S, Scheuermeyer M, Späth F, Bauer U, et al. Journal article