Διδακτορικό

The DYNANOINT project aims to understand dynamical properties of interfaces between nanometer-size metal clusters and biomolecules for developing applications of metal nanoclusters in bioimaging, biosensing and nanomedicine. In order to reach the goals, the project develops new multiscale simulation strategies, assessing critically graph theory and machine learning methods as potential accelerators for discovery of structure-function relationships combined with traditional electronic structure methods and force-field based dynamical simulations.