UQ Workshop 2024

Aims and Scope:Computer simulations have become one of the most powerful tools to make predictions about the behaviour of complex molecular systems, with scales ranging from the microscopic world of atoms and small molecules, all the way up to the macroscopic world of our lived experience. Prominent models used at different scales include methods for electronic structure such as density functional theory (DFT), classical molecular dynamics (MD), coarse-grained MD, reaction-diffusion models,...