Francesco Petrosino

Advisor: Prof. Felice Crupi

Co-Advisor: Prof. Stefano Curcio

Topic: Multiscale Modeling and Simulation of complex Engineering systems

Abstract: A broad range of scientific and engineering problems involve multiple scales. Thus, there is a growing need to develop systematic modelling and simulation approaches for multiscale problems. My research is mainly focused on the formulation of multi-scale models simulating the fundamental characterization of macromolecules and, in particular, the adsorption/immobilization of proteins on/within a porous support. Multi-scale modelling starts from the evaluation of fundamental quantum calculations performed at sub-nanoscopic scale. On a nano and micro-scale level, macromolecules interactions are modelled through multidimensional optimization based on a classical physics approach. At macroscopic scale, the simulations about real process behavior are performed starting from the knowledge acquired al lower and lower scales. The present project requires the use of cluster-computer resource and programming skills to develop and test home-made algorithms aimed at solving the complex equations, which allow describing each of the systems that will be taken into account. Multiscale modelling will be also exploited to characterize food packaging, drugs controlled release, water and soil remediation by enzymes and second-generation biofuels obtainment.