Early-Stage Researcher (PhD student position) that is part of the European Training Network “BIOREMIA” dealing with research on novel biofilm-resistant materials for hard tissue implant applications.

Title: Antibacterial coatings of metallic surfaces: From ab-initio to large scale molecular dynamics simulations

Objectives: Investigation of the early-stages of antibacterial growth and anti-fouling coatings on appropriate Ti-based or Fe-based surfaces by means of ab initio calculations (using DFT). Starting with the low index surfaces, the energetically favored faces and the alloy’s atomic level possible growth ad-layer modes and/or patterns will be evaluated, aiming in revealing the combinations with the highest variety of chelation adatom/molecule sites. Structural, electronic and bonding properties of antibacterial coatings on selective metallic surfaces will be studied. The electronic charge density of the periodically reproduced molecule brush on the metallic surface will be determined aiming to reveal the charge distribution that may cause electrostatic repulsion as an alternative way to prevent bacteria deposition. Scale up using molecular dynamics and mathematical models in order to investigate how the surface features (chemistry, topography) will affect the interaction strength with the bacteria.

Application dead line: 31-3-2020

Expected starting date: 1-5-2020

Further information: Assoc. Prof. Dr Christina Lekka, University of Ioannina, Ioannina, Greece