190 citations · 1k across the 15 of their papers we have counts for
3 papers · 1 filter
Composition and concentration anomalies for structure and dynamics of Gaussian-core mixtures
Mark J. Pond, William P. Krekelberg, Vincent K. Shen +2
We report molecular dynamics simulation results for two-component fluid mixtures of Gaussian-core particles, focusing on how tracer diffusivities and static pair correlations depen…
Anomalous structure and dynamics of the Gaussian-core fluid
William P. Krekelberg, Tanuj Kumar, Jeetain Mittal +2
It is known that there are thermodynamic states for which the Gaussian-core (GC) fluid displays anomalous properties such as expansion upon isobaric cooling (density anomaly) and i…
Available states and available space: Static properties that predict dynamics of confined fluids
Gaurav Goel, William P. Krekelberg, Mark J. Pond +4
Although density functional theory provides reliable predictions for the static properties of simple fluids under confinement, a theory of comparative accuracy for the transport co…