In this talk, applications of atomistic modelling techniques to study adhesion phenomena at bio-inorganic interfaces will be presented. These will include the molecular mechanisms of silicon surface oxidation, the atomistic details of hydrophilic bonding between Si wafers and the adhesion of protein fragments on Si surfaces. The necessity of linking quantum mechanical modelling with larger scale classical molecular dynamics simulations will be emphasised.
In this talk, applications of atomistic modelling techniques to study adhesion phenomena at bio-inorganic interfaces will be presented. These will include the molecular mechanisms of silicon surface oxidation, the atomistic details of hydrophilic bonding between Si wafers and the adhesion of protein fragments on Si surfaces. The necessity of linking quantum mechanical modelling with larger scale classical molecular dynamics simulations will be emphasised.