title: How can ab initio simulations address risks in nanotech?
abstract: Discussions of the potential risks and hazards associated with nanomaterials and nanoparticles tend to focus on the need for further experiments. However, theoretical and computational nanoscientists could also contribute by making their calculations more relevant to research into this area.
authors.affiliation: Department of Materials Science & Engineering, CSIRO, Clayton, Victoria 3169, Australia. amanda.barnard@csiro.au
authors.forename: Amanda S
authors.initials: AS
authors.lastname: Barnard
mesh_terms: D003198:Computer Simulation; D004777:Environment; D049329:Nanostructures / Q000633:toxicity*; D036103:Nanotechnology; D013696:Temperature