Integrated open software suite for quantum nanoscale modeling
The integrated open software suite for quantum nanoscale modeling includes the computational (server) part based on the fast atomistic DFTB+ code combined with the TraNaS transport library (DFTB+XT), the general atomistic code CP2K and the finite-element ElmerSolver for multiscale modeling.
The desktop GUI TraNaS UI can be used for input/output preparation and analysis.
Python scripting is suggested for complex computational tasks.
The suite is supplied by the Guide, Manual, Tutorial, Tests, Examples.
ContactDmitry A. Ryndyk