Technologie Hero Istock-695675608 Jaczhou

Atomistic Simulations

MSA website starter

Atomistic model of TiAl (H. Ganesan)

It is often helpful to look into the microcosm when developing new materials. This is because material properties depend on how the material’s atoms and molecules interact with each other on the smallest length scales. This interplay of atoms and molecules can by captured through computer simulations based on density functional theory and molecular dynamics. Our “Atomistic Simulations” team develops such models and uses them for the virtual development of new materials, manufacturing processes and systems.