Quantum Dynamics of Hydrogen on Ruthenium

A study of Hydrogen dynamics on a simple model Ruthenium surface has been performed using Partially Adiabatic Centroid Molecular Dynamics (PACMD), with a stochastic, Langevin based thermostat. Evidence has been found, and is presented within for quantum-mechanically mediated, temperature-dependent friction. The technique has been shown to accurately model the dynamics, as measured experimentally by Helium-3 Spin-echo Interferometry, in a way which has not been possible with classical techniques.