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We have developed an efficient simulation tool 'GOLLUM' for the computationof electrical, spin and thermal transport characteristics of complexnanostructures. The new multi-scale, multi-terminal tool addresses a number ofnew challenges and functionalities that have emerged in nanoscale-scaletransport over the past few years. To illustrate the flexibility andfunctionality of GOLLUM, we present a range of demonstrator calculationsencompassing charge, spin and thermal transport, corrections to densityfunctional theory such as LDA+U and spectral adjustments, transport in thepresence of non-collinear magnetism, the quantum-Hall effect, Kondo and Coulombblockade effects, finite-voltage transport, multi-terminal transport, quantumpumps, superconducting nanostructures, environmental effects and pulling curvesand conductance histograms for mechanically-controlled-break-junctionexperiments.

GOLLUM: a next-generation simulation tool for electron, thermal and spin transport