He is an expert in the simulation of the electronic and structural properties of bulk semiconductors and interfaces, in the characterization of the atomistic mechanisms for chemical reactions at surfaces by means of ab initio methods based on density functional theory (DFT), force fields and Monte Carlo techniques. Furthermore, Dr. Pignedoli specializes in the examination of electronic and magnetic properties in nanographenes, utilizing DFT-hybrid and multireference approaches. His atomistic simulations are conducted in close collaboration with experimental researchers, an approach which has catalyzed significant advancements in his investigative work. Notably, this collaborative synergy has led to pivotal developments in the study of high-dielectric constant materials and the understanding and tuning of electronic and magnetic properties in carbon-based low-dimensional nanomaterials.
His professional interests are mainly focusing on atomistic simulations utilizing ab initio and force field methods, development of automated protocols for high-throughput computations and investigation of electronic and magnetic properties of both bulk and low-dimensional materials, with a particular focus on the physics and chemistry “at the surface”.