A3 Multiscale Modeling and Simulation

Exchange-correlation potentials with proper discontinuities for physically meaningful Kohn-Sham eigenvalues and band structures (2015) Görling A Journal article Template-Dependent Photochemical Reactivity of Molecular Metal Oxides (2015) Tucher J, Peuntinger K, Margraf J, Clark T, Guldi DM, Streb C Journal article EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions (2015) Margraf J, Hennemann M, Meyer B, Clark T Journal article Elasticity of nematic phases with fundamental measure theory (2015) Wittmann R, Marechal M, Mecke K Journal article On Timoshenko thin elastic inclusions inside elastic bodies (2015) Khludnev AM, Leugering G Journal article Carboxylate Ion Pairing with Alkali-Metal Ions for β-Lactoglobulin and Its Role on Aggregation and Interfacial Adsorption (2015) Beierlein F, Clark T, Braunschweig B, Engelhardt K, Glas L, Peukert W Journal article Beyond the percolation universality class: the vertex split model for tetravalent lattices (2015) Nachtrab S, Hoffmann M, Kapfer S, Schröder-Turk G, Mecke K Journal article Pattern-fluid interpretation of chemical turbulence (2015) Scholz C, Schröder-Turk G, Mecke K Journal article, Original article Numerical simulation of interfacial closures for 3D bubble column flows (2015) Masood RMA, Jovicic V, Delgado A Journal article Numerical simulation of heat transfer in the near-wall region of tubular reactors packed with metal open-cell foams (2015) Bianchi E, Groppi G, Schwieger W, Tronconi E, Freund H Journal article