We have developed an efficient simulation tool 'GOLLUM' for the computation
of electrical, spin and thermal transport characteristics of complex
nanostructures. The new multi-scale, multi-terminal tool addresses a number of
new challenges and functionalities that have emerged in nanoscale-scale
transport over the past few years. To illustrate the flexibility and
functionality of GOLLUM, we present a range of demonstrator calculations
encompassing charge, spin and thermal transport, corrections to density
functional theory such as LDA+U and spectral adjustments, transport in the
presence of non-collinear magnetism, the quantum-Hall effect, Kondo and Coulomb
blockade effects, finite-voltage transport, multi-terminal transport, quantum
pumps, superconducting nanostructures, environmental effects and pulling curves
and conductance histograms for mechanically-controlled-break-junction
experiments.Comment: 66 journal pages, 57 figure
