Advanced materials
For graphene and two-dimensional materials, quantum mechanical modelling is used to understand and predict electronic properties.
To model extraction and adsorption processes, molecular dynamics simulation is used in the Multiscale Modelling Group in the Department of Chemical Engineering.
Atomistic simulation is also used to investigate metals, crystals and grain boundaries.
Mechanical property modelling often requires the use of continuum methods. You can find out more about these methods at:
Finally we note the close connection of all these modelling activities with The Henry Royce Institute.