activity
19992017
most citedLithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles and Classical Reactive Molecular Dynamics

210 citations · 489 across the 7 of their papers we have counts for

collaborators
Showing 2011 · cond-mat.mtrl-sciShow all

1 paper · 2 filters

cond-mat.mtrl-sci2011★ 1 cited

Path Integral Calculations of the Hydrogen Hugoniot Using Augmented Nodes

Saad A. Khairallah, J. Shumway, Erik W. Draeger

We calculate the hydrogen Hugoniot using ab initio path integral Monte Carlo. We introduce an efficient finite-temperature fixed-node approximation for handling fermions, which inc…