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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 5: Interfaces

CPP 5.3: Vortrag

Montag, 23. März 2009, 11:00–11:15, ZEU 160

Large molecules near metal surfaces: A density functional based scale-bridging approach — •Luigi Delle Site — Max-Planck-Institute for Polymer Research, PO Box 3148,D-55021 Mainz

We present a hierarchical quantum-classical scale-bridging approach for modeling and simulating large molecules, in bulk and in solution, on inorganic (metal) surfaces. Some examples of its application are illustrated, in particular the study of the adsorption of oligopeptides on a Pt(111) in solution.