title: Modelling of the nanoscale.
authors.forename: Amanda
authors.initials: A
authors.lastname: Barnard
authors.forename: Chang Ming
authors.initials: CM
authors.lastname: Li
authors.forename: Ruhong
authors.initials: R
authors.lastname: Zhou
authors.forename: Yuliang
authors.initials: Y
authors.lastname: Zhao
mesh_terms: D000465:Algorithms; D056004:Molecular Dynamics Simulation; D049329:Nanostructures / Q000737:chemistry; D036103:Nanotechnology; D011789:Quantum Theory