210 citations · 1.1k across the 15 of their papers we have counts for
Showing 2014Show all
2 papers · 1 filter
physics.chem-ph2014
The Combined Influence of Nuclear Quantum Effects and van der Waals Interactions on the Structure of Ambient Water
Jeffrey M. McMahon, Miguel A. Morales, Brian Kolb +1
Path-integral molecular dynamics simulations based on density functional theory employing exchange-correlation density functionals capable of treating nonlocal van der Waals (vdW)…
cond-mat.mtrl-sci2014★ 100 cited
Benchmark of Exchange-Correlation Functionals for High Pressure Hydrogen using Quantum Monte Carlo
Raymond C. Clay, Jeremy B. McMinis, Jeffrey M. McMahon +3
The ab-initio phase diagram of dense hydrogen is very sensitive to errors in the treatment of electronic correlation. Recently, it has been shown that the choice of the density fun…