NanoDCAL+ is a suite of software tools for quantum transport simulation based on the non-equilibrium Green’s function formalism. NanoDCAL+ is used for large material and electronic device simulations. NanoDCAL+ is complete rewrite of our original NanoDCAL software (Matlab code), with a focus on even greater performance. The NanoDCAL+ combines the efficiency of Fortran/C/C++ and an easy-to-use Python interface for defining applications and performing post analysis.

nanotools is a Python user interface for NanoDCAL+. It includes modules to describes atomic structures and modules to perform calculations (e.g. total energy, EOS, dielectric constant).

  • Installation provides instructions on how to build and install NanoDCAL+.

  • Getting Started walks you through a very simple calculation example for NanoDCAL+.

  • API Reference provides detailed documentation for nanotools classes.

  • Tutorials contains how-to’s and tutorials for all calculation types and more.

  • Contact will tell you how to reach us.

  • Release Notes includes latest features, enhancements and bug fixes