February 11, 2018


KITE quantum transport software is a general-purpose, open-source code for accurate tight-binding calculations of electronic structure and transport properties of large-scale molecular and condensed systems with up to tens of billions of atomic orbitals. KITE is written in C++ and it is already optimized for shared memory architectures. It has a user-friendly Python input/output interface based on pybinding, a tight-biding package that can be employed to build and visualize the crystalline structure of the simulated system.

The KITE software is a result of an international collaboration funded by The Royal Society, London through a Newton Advanced Fellowship award (Tatiana Rappoport, Federal University of Rio de Janeiro, Brazil) and a University Research Fellowship (Aires Ferreira, University of York, UK).