Giovanni Maria Pavan
Full Professor (Professore Ordinario) at Politecnico di Torino (IT) & at SUPSI (CH). Head of Computational Physical Chemistry (CPC) Lab @PoliTO (IT) & of Computational Materials Science Lab @SUPSI (CH). G.M. Pavan has extensive experience in the field of advanced molecular simulation and multiscale modelling of complex molecular systems in various conditions. Examples span from supramolecular polymers to dynamic nanoparticles, stimuli-responsive materials, complex interacting molecular systems, multivalency, molecular recognition, complex macromolecular architectures (e.g., hyperbranched dendrimers, dendrons, polymers, block copolymers, etc.)
Role in the project: He will lead all activities related to the computational and molecular modelling of the dynamic supramolecular systems that will be explored. A team of experienced researchers guided by G.M. Pavan will serve as the theoretical/computational reference in the research that will be developed herein for the whole duration of the project.
My researches rely on statistical analysis and machine learning to study, design and control nanomaterials properties (synthetic, bio-inspired or biological materials). I also focus on designing convenient tools to facilitate the creation of accurate molecular models for molecular dynamics simulations. Having previously worked in the fields of drug design and structural biology, I am always interested into interdisciplinary projects.
Senior Researcher at SUPSI (CH). C. Perego has a theoretical physics background, with experience in molecular simulation of complex molecular systems, in advanced sampling methodologies and multiscale modelling of self-assembling systems. In particular he is interested in the complex dynamics of supramolecular materials in- and out-of-equilibrium, which is at the basis of fascinating properties like self-healing and stimuli-responsiveness exhibited by these systems.
Role in the project: He will contribute to the development of reliable molecular models for the systems/materials of interest in the MIMIC-KeY activities, such as the membrane envelopes of the extracellular vescicle mimics. He will be involved in the molecular simulation and in the subsequent data analysis stages, supporting the experimental teams of the consortium with fundamental indications from accurate molecular models