Materials Theory and Modeling

The newly formed Materials Theory and Modelling group focuses on atomic scale modelling of solid-state materials and materials discovery. Pushing materials to 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), 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 and beyond. Our atomic scale insights enable novel candidate materials, and breakdown/performance limiting mechanisms in current materials to be identified, leading the development of improved materials for EUV lithography.