Classical Nuclear Motion in Quantum Transport

An {\em ab initio} quantum-classical mixed scheme for the time evolution of electrode-device-electrode systems is introduced %and used to study nuclear dynamics in quantum transport. Two model systems are discussed to illustrate the method. Our results provide the first example of current-induced molecular desorption as obtained from a full time-dependent approach, and suggest the use of AC biases as a way to tailor electromigration.