Calculus-based optimization of the electron dynamics in nanostructures

For numerous applications, the computation and provision of exact derivative information plays an important role for optimizing the considered system. This paper introduces the technique of algorithmic differentiation, a method to compute derivatives of arbitrary order within working precision. This derivative information will be combined with a calculus-based optimization algorithm to optimize a non-trivially shaped laser pulse which coherently steers the electron dynamics in a semiconductor quantum wire. Numerical results illustrating the cost for the derivative computation and the optimization process are presented and discussed.