Simulating materials and fluids driven out of equilibrium

About the project

Many real systems, from batteries being charged to fluids under steady flow, sit in a steady state that is far from equilibrium, and standard theory struggles to describe them. In this computational project Will use molecular dynamics simulations and machine learning to understand these nonequilibrium steady states better and to improve how their properties are calculated. Will then apply the new theory and methods to practical systems such as lubricants, electrolytes, and thermal insulators and conductors. The work is based at UQ's Australian Institute for Bioengineering and Nanotechnology, alongside experts in nonequilibrium statistical mechanics who study batteries, supercapacitors, electrolysers and organic semiconductors, with access to UQ and national high-performance computing facilities.