Modern Computational Science - Summer School

MCS12: Adsorption on a gold surface
Co-adsorption of oxygen atoms and CO molecules on a gold surface containing silver impurities (courtesy of T. Klüner and L.V. Moskaleva). An introduction into quantum chemical methods, which form the basis for modelling complex catalytic processes at surfaces as shown above, will be given in the class and tutorial by T. Klüner.