the nanohub.org is a good place to play with model systems of quantum conduction, EK dispersions, and such if you're interested in learning about molecular tran

the nanohub.org is a good place to play with model systems of quantum conduction, EK dispersions, and such if you're interested in learning about molecular transistors, for instance. Along the same lines, you can play with Quantum Espresso (http://www.quantum-espresso.org/ http://www.quantum-espresso.org/) to do your own full blown abinitio quantum simulations.