Atomistic Simulation Software


Nanoacademic Technologies

NanoDCAL is an atomic orbital-based implementation of density functional theory (DFT) coupled with the Keldysh non-equilibrium Green’s function formalism (NEGF). It is a general purpose tool for quantitative calculations of nonlinear and non-equilibrium quantum transport properties of two-probe device structures. We can simulate up to 1,000 atoms (medium/large size atom systems). We offer free trial versions