Articles
Pairwise additive model for the He-MgO(100) interaction (with B. A. 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 (with G. D. Peterson, G. L. Warren, and R. J. Harrison), 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 (with T. Arnold, L. Frazier, and A. J. Ramirez-Cuesta), Physical Review Letters (2008)
Inelastic neutron scattering is used to probe the dynamical response of H2 films adsorbed on...