QuantumWise A/S is announcing a new release of its software package for atomic-scale simulations of nanoscale electronic and spintronic devices, Atomistix ToolKit (ATK). This code is able to compute electronic structure and transport properties (e.g. I-V characteristics) of nanoscale structures such as nanotubes, graphene, molecular electronics devices, magnetic tunnel junctions and other magnetic system, interface structures, nanowires, etc.
Based on semi-empirical methods, the newly released package extends the company's modeling platform, which already comprises a density-functional theory (DFT) method, to allow faster simulations of larger structures (>1,000 atoms). The new model also offers a better description of semiconducting materials.