103 citations · 259 across the 4 of their papers we have counts for
4 papers
A slow process in confined polymer melts: layer exchange dynamics at a polymer solid interface
L. Yelash, P. Virnau, K. Binder +1
Employing Molecular Dynamics simulations of a chemically realistic model of 1,4-polybutadiene between graphite walls we show that the mass exchange between layers close to the wall…
Monte Carlo Test of the Classical Theory for Heterogeneous Nucleation Barriers
David Winter, Peter Virnau, Kurt Binder
Flat walls facilitate the condensation of a supersaturated vapor: Classical theory of heterogeneous nucleation predicts that the free energy barrier which needs to…
Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment
B. M. Mognetti, P. Virnau, L. Yelash +4
The prediction of the equation of state and the phase behavior of simple fluids (noble gases, carbon dioxide, benzene, methane, short alkane chains) and their mixtures by Monte Car…
Orthorhombic Phase of Crystalline Polyethylene: A Constant Pressure Path Integral Monte Carlo Study
R. Martonak, W. Paul, K. Binder
In this paper we present a Path Integral Monte Carlo (PIMC) simulation of the orthorhombic phase of crystalline polyethylene, using an explicit atom force field with unconstrained…