Computational challenges about nanostructures and biosystems at surfaces

The interaction between nano-objects and extended solid surface's is of paramount importance in the context of nanoscience and nanotechnology. It plays a role both in investigating the properties of nanoscale materials and in exploiting such properties. We overview selected examples inspired by experimental facts. We focus on bio-nano cases such as the adsorpion of small polypeptides and nucleotides on metal surfaces, including the role of an aqueous environment. We highlight evidences that call for interpretation, computational approaches based on density functional theory and molecular dynamics that are currently available to face the open problems, and desired developments that, may increase the potentialities of theory to guide and interpret technology progress.