Materials Modeling & Tribology

The main activity of our research group is to develop and apply computational protocols to study materials for technological applications. We study the material behavior and function by applying several methods, which include density functional theory, high-throughput calculations, classical, ab initio, machine learning and multi-scale molecular dynamics. 

Among different applications of these techniques, including materials growth, catalysis,  nanomechanics, surface and interface science, we are particularly active in tribology, i.e., the science of interacting surfaces in relative motion. We devote our research efforts to improve materials for reducing friction, with the hope of contributing to the global challenges of reducing energy losses and CO₂ emissions.