Politecnico di Torino

Politecnico di Torino is an engineering and architecture university based in Torino, established in 1859, it is the oldest technical university in Italy. Politecnico di Torino hosts 35,000+ B.Sc./M.Sc. students and almost 1,000 Ph.D. candidates, with some 1,000 faculties.

The SMaLL group, which stands for multi-Scale Modeling Laboratory at the Department of Energy of Politecnico di Torino, will be involved in the EURECOMP project. This research group has been active for 10+ years in modelling over various scales (from nano to macro) the thermal and transport properties of materials and composites for energy applications, including those containing carbon nanomaterials. In particular, the group developed an experience in modelling composite materials by molecular dynamics and mesoscopic simulations, studying their effective mechanical, thermal, electrical, and electromagnetic properties.

The EURECOMP working team is composed by two Associate Professors, one Postdoc and one PhD student. The activity will focus on the atomistic simulation of solvolysis process, investigating the effect of supercritical conditions, solvent mixtures, and different thermodynamic conditions. Both reactive and classical forcefields will be employed, exploiting highly parallelized open-source codes running on high-performance computing infrastructures.