301 citations · 1.5k across the 24 of their papers we have counts for
Showing 2017Show all
2 papers · 1 filter
cs.DC2017★ 7 cited
Embracing a new era of highly efficient and productive quantum Monte Carlo simulations
Amrita Mathuriya, Ye Luo, Raymond C. Clay +3
QMCPACK has enabled cutting-edge materials research on supercomputers for over a decade. It scales nearly ideally but has low single-node efficiency due to the physics-based abstra…
physics.chem-ph2017★ 124 cited
A New Generation of Effective Core Potentials for Correlated Calculations
M. Chandler Bennett, Cody A. Melton, Abdulgani Annaberdiyev +3
We outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by rec…