A3 Multiscale Modeling and Simulation

Charge-transfer excitation energies with a time-dependent density-functional method suitable for orbital-dependent exchange-correlation kernels (2009) Heßelmann A, Ipatov A, Görling A Journal article, Original article Formation of the calcium/poly(3-hexylthiophene) interface: Structure and energetics (2009) Zhu J, Bebensee F, Hieringer W, Zhao W, Baricuatro JH, Farmer JA, Bai Y, et al. Journal article Chemical fingerprints of large organic molecules in scanning tunneling microscopy: Imaging adsorbate-substrate coupling of metalloporphyrins (2009) Buchner F, Warnick KG, Wölfle T, Görling A, Steinrück HP, Hieringer W, Marbach H Journal article, Original article Free Material Optimization with Fundamental Eigenfrequency Constraints (2009) Stingl M, Kocvara M, Leugering G Journal article, Original article A New Non-linear Semidefinite Programming Algorithm with an Application to Multidisciplinary Free Material Optimization (2009) Stingl M, Kocvara M, Leugering G Book chapter / Article in edited volumes AM1* parameters for vanadium and chromium (2009) Kayi H, Clark T Journal article AM1* parameters for bromine and iodine (2009) Kayi H, Clark T Journal article Robust Pore Size Analysis of Filamentous Networks from Three-Dimensional Confocal Microscopy (2008) Mickel W, Münster S, Jawerth LM, Vader DA, Weitz DA, Sheppard AP, Mecke K, et al. Journal article Shape optimization for the Helmholtz equation (2008) Seifrt F, Leugering G, Rohan E Journal article, Original article Motion by stopping: Rectifying Brownian motion of nonspherical particles (2008) Sporer S, Goll C, Mecke K Journal article