Guiding the time-evolution of a molecule: optical control by computer

The theory and computation of optical control has been developed over the last 25 years and is now a mature field of research. Initial work provided pictures of how control using light fields in simple systems may be achieved, for example using multiple excitation pathways or pulse sequences. The development of optimal control theory then provided a general method for guiding a system to its target using a shaped laser pulse. Combined with quantum dynamics simulations this has become a widely used tool, and has been applied to a range of systems to show what can be controlled. The present challenge is to gain more insight into the mechanism of control. In addition, methods need to be extended to reach the size of system of interest to technology. In this perspective article we shall give a brief overview of present capabilities and some of the recent developments in quantum dynamics and control simulations.