I have been working on Quantumwise's Atomistix ToolKit along with its user interface Virtual nanolab (VNL) since 2010 and successfully produced and defended my research on the various aspects of nanometer-scale electron transport.
Transiesta doesn't have strong Graphic user interface... I am currently working on Atomistic Tool Kit and Virtual Nanolab..which has Guassian and transiesta both working at backend....I want to know if some other simulation platform is available for nanometer-scale properties
I have used NanoMOS but certain transport phenomenon are not properly characterized using this modelling platform...Anyhow, thanks for your suggestions..
There are many quantum codes available to perform NEGF calculations, for example, TranSIESTA (SIESTA based code), SMEAGOL, Gollum, and VNL. Make sure that at zero bias your system will be in equilibrium so nothing to do with NEGF however when you start to apply bias voltage (e.g., 0.1, 0.2....n) system will be in a non-equilibrium state. Once you have a converged density from TranSIESTA at the different voltage you can calculate current (I) using TBTrans code (SIESTA based code).