Materials Modeling & Tribology Group

Our research group focuses on developing and applying computational tools to understand and predict the properties and behavior of materials from first principles. We employ a range of methods, including density functional theory, high-throughput calculations, classical and ab initio molecular dynamics, machine learning techniques and multi-scale simulations.

Our research primarily targets surface and interface phenomena such as materials growth, catalysis and tribology– the study of adhesion, friction, lubrication and wear.

In collaboration with experimental research groups and industries we integrate in silico experiments with real-world experiments to tackle problems that are fundamental in nature and yet have great technological impact.

Through our work, we aim to develop improved materials that contribute to addressing global challenges such as reducing energy losses and CO₂ emissions.