97 citations · 349 across the 9 of their papers we have counts for
4 papers · 1 filter
Computational Study of Trimer Self-Assembly and Fluid Phase Behavior
Harold W. Hatch, Jeetain Mittal, Vincent K. Shen
The fluid phase diagram of trimer particles composed of one central attractive bead and two repulsive beads was determined as a function of simple geometric parameters using flat-h…
Impact of surface roughness on diffusion of confined fluids
William P. Krekelberg, Vincent K. Shen, Jeffrey R. Errington +1
Using event-driven molecular dynamics simulations, we quantify how the self diffusivity of confined hard-sphere fluids depends on the nature of the confining boundaries. We explore…
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…
Cofinement, entropy, and single-particle dynamics of equilibrium hard-sphere mixtures
Jeetain Mittal, Vincent K. Shen, Jeffrey R. Errington +1
We use discontinuous molecular dynamics and grand-canonical transition-matrix Monte Carlo simulations to explore how confinement between parallel hard walls modifies the relationsh…