83 citations · 238 across the 7 of their papers we have counts for
3 papers · 1 filter
Fine discretization of pair interactions and an approximate analytical strategy for predicting equilibrium behavior of complex fluids
Kyle B. Hollingshead, Avni Jain, Thomas M. Truskett
We study whether fine discretization (i.e., terracing) of continuous pair interactions, when used in combination with first-order mean-spherical approximation theory, can lead to a…
Phase Behavior of Materials with Isotropic Interactions Designed by Inverse Strategies to Favor Diamond and Simple Cubic Lattice Ground States
Avni Jain, Jeffrey R. Errington, Thomas M. Truskett
We use molecular simulation to construct equilibrium phase diagrams for two recently introduced model materials with isotropic, soft-repulsive pair interactions designed to favor d…
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…