A3 Multiscale Modeling and Simulation

Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theorem (2014) Bleiziffer P, Schmidtel D, Görling A Journal article Dynamical states in driven colloidal liquid crystals (2014) Fischermeier E, Marechal M, Mecke K Journal article Facile colloidal coating of polystyrene nanospheres with tunable gold dendritic patches (2014) Bao H, Bihr T, Smith AS, Klupp Taylor R Journal article, Original article High Resolution Scanning Tunneling Microscopy of a 1D Coordination Polymer with Imidazole-Based N,N,O Ligands on HOPG (2014) Fischer NV, Mitra U, Warnick KG, Dremov V, Stocker M, Wölfle T, Hieringer W, et al. Journal article The Nature of One-Dimensional Carbon: Polyynic versus Cumulenic (2014) Neiß C, Trushin E, Görling A Journal article, Original article Fundamental measure theory for smectic phases: Scaling behavior and higher order terms (2014) Wittmann R, Marechal M, Mecke K Journal article Establishing conditions for simulating hydrophobic solutes in electric fields by molecular dynamics Effects of the long-range van der Waals treatment on the apparent particle mobility (2014) Milicevic Z, Marrink SJ, Smith AS, Smith DM Journal article, Original article Calculating CD Spectra of Flexible Peptides: An Assessment of TD-DFT Functionals (2014) Brkljaca Z, Malis M, Smith DM, Smith AS Journal article, Original article Indentation and Self-Healing Mechanisms of a Self-Assembled Monolayer-A Combined Experimental and Modeling Study (2014) Meltzer C, Paul J, Dietrich H, Jäger C, Clark T, Zahn D, Braunschweig B, Peukert W Journal article Synthesis and Characterization of a Uranium(II) Monoarene Complex Supported by delta Backbonding (2014) la Pierre HS, Scheurer A, Heinemann FW, Hieringer W, Meyer K Journal article, Letter