Simulating the Dynamics of Atoms and Electrons in Nanoscale Systems
PROF. PABLO ORDEJÓN (Theory and Simulation Group Leader at CIN2), February, 27th, 2009, 12:00h, IFAE.
Computer simulations have brought a new way of doing science in virtually all areas of knowledge. Nanoscience is a particularly lucky example, in which the advances in computational methods towards the description of larger systems (from small molecules in earlier times to complex nanostructures nowadays) have come in parallel with the revolution in experimental methods to manipulate matter at atomic scales brought by the Scanning Tunneling Microscope and related techniques. This has produced a situation in which simulations are feasible in systems which can be studied in detail by experimental techniques, producing a very productive combination.
In this talk, he will review the basic ideas behind the simulation methods currently used to describe the behaviour of atoms and electrons in nanoscale systems. He will use examples of particular applications done in their group as an illustration of the concepts and methods presented.