Abstract
Quantum nuclei: (ab initio) path integral molecular dynamics for static and dynamic observables
Mariana Rossi
Max Planck Institute for the Structure and Dynamics of Matter
In this talk the concepts of path integral molecular dynamics and approximations based on it for the evaluation of dynamical observables in quantum mechanics will be introduced. We will discuss limitations of these methods and techniques to enhance their efficiency, so that they can be used with ab initio potentials.