97 citations · 301 across the 7 of their papers we have counts for
7 papers
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…
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…
Generalizing Rosenfeld's excess-entropy scaling to predict long-time diffusivity in dense fluids of Brownian particles: From hard to ultrasoft interactions
Mark J. Pond, Jeffrey R. Errington, Thomas M. Truskett
Computer simulations are used to test whether a recently introduced generalization of Rosenfeld's excess-entropy scaling method for estimating transport coefficients in systems obe…
Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: Mixtures and soft particles
William P. Krekelberg, Mark J. Pond, Gaurav Goel +3
Rosenfeld [Phys. Rev. A 15, 2545 (1977)] noticed that casting transport coefficients of simple monatomic, equilibrium fluids in specific dimensionless forms makes them approximatel…
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…