205 citations · 1.9k across the 24 of their papers we have counts for
12 papers · 1 filter
Predicting how nanoconfinement changes the relaxation time of a supercooled liquid
Trond S. Ingebrigtsen, Jeffrey R. Errington, Thomas M. Truskett +1
The properties of nanoconfined fluids can be strikingly different from those of bulk liquids. A basic unanswered question is whether the equilibrium and dynamic consequences of con…
Inverse design of simple pairwise interactions with low-coordinated 3D lattice ground states
Avni Jain, Jeffrey R. Errington, Thomas M. Truskett
We demonstrate that inverse statistical mechanical optimization can be used to discover simple (e.g., short-range, isotropic, and convex-repulsive) pairwise interparticle potential…
Enhancing tracer diffusivity by tuning interparticle interactions and coordination shell structure
James Carmer, Gaurav Goel, Mark J. Pond +2
This study uses a combination of stochastic optimization, statistical mechanical theory, and molecular simulation to test the extent to which the long-time dynamics of a single tra…
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…
Mapping between long-time molecular and Brownian dynamics
Mark J. Pond, Jeffrey R. Errington, Thomas M. Truskett
We use computer simulations to test a simple idea for mapping between long-time self diffusivities obtained from molecular and Brownian dynamics. The strategy we explore is motivat…
Implications of the effective one-component analysis of pair correlations in colloidal fluids with polydispersity
Mark J. Pond, Jeffrey R. Errington, Thomas M. Truskett
Partial pair-correlation functions of colloidal suspensions with continuous polydispersity can be challenging to characterize from optical microscopy or computer simulation data du…