Materials Theory and Modeling

Group leader: Emilia Olsson

The Materials Theory and Modelling group focuses on atomic scale modelling of solid-state materials and materials discovery. Pushing materials to the extreme limits, materials for novel lithography technologies require atomic level understanding in order to predict, comprehend, and control their properties.

Using cutting-edge density functional theory (DFT) and molecular dynamics (MD) modelling techniques, the Materials Theory and Modelling group conducts simulations of bulk, surface, thin-films, and interface systems to explore and design novel materials for EUV lithography. These atomic scale insights enable novel candidate materials, and breakdown/performance limiting mechanisms in current materials to be identified, leading to the development of improved materials for EUV lithography.