Theory/experiment collaboration in surface studies: spintronics, catalysis and crystal
growth
Gavin Bell
'Surfaces, Interfaces and Thin Films Group', Physics, University of Warwick
Gavin.Bell@warwick.ac.uk
The interface between theoretical and experimental studies has become a little more blurry thanks
to the rise of “computer experiments”. Molecular dynamics (MD), density functional theory (DFT)
and Monte Carlo (MC) methods can give valuable insights into experimental systems and are
increasingly accessible to non-specialists thanks to efficient, robust codes and cheaper computing
power. I will give a couple of examples DFT / experiment work in the fields of spintronic materials
and catalysis. Crystal growth on surfaces (heteroepitaxy) is another important topic where DFT,
MC and MD methods can bridge the gap between atomistic behaviour and observations: I will
discuss our work on graphene.