We are hiring two PostDocs to join the Pattern Analysis and Computer Vison (PAVIS) Research Line coordinated by Dr. Alessio Del Bue. The positions are part of a joint multidisciplinary effort between PAVIS, the Atomistic Simulation (ATSIM) Research Line led by Prof. Michele Parrinello, the Computational Facility led by Dr. Sergio Decherchi and Dompè Pharmaceutical. The focus is on the study of novel ML and DL methods that can efficiently incorporate priors and constraints related to physical models, with special focus on self-supervised and generative modelling. The goal is to develop models applicable to IIT interdisciplinary research, especially in drug discovery and molecular modeling for large scale datasets, leveraging IIT’s HPC computational facilities.

Life of biological molecules spans time and length scales relevant at atomic to cellular time and length scales. Hence, novel molecular modeling approaches are required to be inherently multi-scale. Here we describe multiple methodologies developed in our laboratory: rapid discrete molecular dynamics simulation algorithm, protein design and structural refinement tools. Using these methodologies, we describe therapeutic strategies to combat this HIV and cancer, as well as design novel approaches for controlling proteins in living cells and organisms.