Applications are invited for a three-year PhD

studentship in 'Ab Initio Simulations of Self-Replicating Systems'.

Fulvene-based reagents A and B can undergo a Diels-Alder reaction to form the product C. Species C is autocatalytic, it acts as a template steering the reagents A and B to again form C. Such self-replicating systems play an important role in evolutionary theories.

In this project the dynamical mechanisms of the various stages of the self-replicating cycle will be studied using ab initio molecular dynamics based on density functional theory. Free energy landscapes will be calculated using advanced sampling techniques. In addition, novel free energy methods shall be developed.

The successful candidate will have sound knowledge of electronic structure theory, molecular dynamics, and computer programming.

For further information and to apply please email Dr. Nikos Doltsinis ().

Web: www.kcl.ac.uk/schools/pse/physics/people/nikosdoltsinis.html