Articles
Pairwise additive model for the He-MgO(100) interaction (with Britta Johnson), Journal of Physical Chemistry A (2011)
We develop a model, based on pairwise additive He-Mg and He-O interactions, for the potential...
QSATS: MPI-driven quantum simulations of atomic solids at zero temperature, Computer Physics Communications (2011)
We describe QSATS, a parallel code for performing variational path integral simulations of the quantum...
A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for N-body systems, Computer Physics Communications (2009)
Interest in the study of structural and energetic properties of highly quantum clusters, such as...
A six-dimensional H2–H2 potential energy surface for bound state spectroscopy, Journal of Chemical Physics (2008)
We present a six-dimensional potential energy surface for the (H2)2 dimer based on coupled-cluster electronic...
Direct observation of H2 binding to a metal oxide surface, Physical Review Letters (2008)
Inelastic neutron scattering is used to probe the dynamical response of H2 films adsorbed on...