190 citations · 943 across the 14 of their papers we have counts for
4 papers · 1 filter
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…
Does confining the hard-sphere fluid between hard walls change its average properties?
Jeetain Mittal, Jeffrey R. Errington, Thomas M. Truskett
We use grand canonical transition-matrix Monte Carlo and discontinuous molecular dynamics simulations to generate precise thermodynamic and kinetic data for the equilibrium hard-sp…
How short-range attractions impact the structural order, self-diffusivity, and viscosity of a fluid
William P. Krekelberg, Jeetain Mittal, Venkat Ganesan +1
We present molecular simulation data for viscosity, self-diffusivity, and the local structural ordering of (i) a hard-sphere fluid and (ii) a square-well fluid with short-range att…
Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water
Manoj V. Athawale, Gaurav Goel, Tuhin Ghosh +2
We present results from extensive molecular dynamics simulations of collapse transitions of hydrophobic polymers in explicit water focused on understanding effects of lengthscale o…