The development and use of computational models at Politecnico di Torino is a multidisciplinary activity that involves numerous departments (DISAT, DISMA, DIMEAS, DENERG) and disciplines including: physical chemistry, applied mathematics and statistical mechanics, chemical engineering, mechanical engineering, energy engineering and biomedical engineering. More than 30 permanent faculty members and approximately 50 between PhD & post-doctoral students take part to these research initiatives. The areas of research covered and the applications explored are incredibly wide and range from multiscale modelling of self-assembly & bioinspired materials, statistical and non-linear physics, multiscale modelling of materials for energy applications & batteries, development of innovative chemical and pharmaceutical processes, solid and fluid biomechanics, structural analysis and design of aerospace and mechanical structures. Several are the computational techniques employed ranging from quantum chemistry, molecular mechanics, to mesoscopic & continuum modelling (i.e. QM/MM, MD & Monte-Carlo, DPD, LBM, CFD). Artificial intelligence, especially in the context of multiscale modelling, is also extensively used.
All this is possible also thanks to the computational resources available via the HPC@POLITO center (https://hpc.polito.it/) which manages three clusters: CASPER (16×32-core AMD Bulldozer each), HACTAR (29×24-core Intel XEON v3) e LEGION (57×32-core Intel Scalable Processors Gold).