Abstract QuantumATK is an integrated set of atomic-scale modelling tools developed since 2003 by professional software engineers in collaboration with academic researchers. Whil...
We describe an ab initio method for calculating the electronic structure,\nelectronic transport, and forces acting on the atoms, for atomic scale systems\nconnected to semi-infi...
We consider the effect of a finite voltage bias on the conductance of single-atom gold contacts. We employ a nonorthogonal $\mathrm{spd}$-tight-binding Hamiltonian combined with...
h-index: Number of publications with at least h citations each.