709 citations · 7.6k across the 159 of their papers we have counts for
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Polymer chain stiffness versus excluded volume: A Monte Carlo study of the crossover towards the wormlike chain model
Hsiao-Ping Hsu, Wolfgang Paul, Kurt Binder
When the local intrinsic stiffness of a polymer chain varies over a wide range, one can observe both a crossover from rigid-rod-like behavior to (almost) Gaussian random coils and…
Conformational Studies of bottle-brush polymers absorbed on a flat solid surface
Hsiao-Ping Hsu, Wolfgang Paul, Kurt Binder
The adsorption of a bottle-brush polymer end-grafted with one chain end of its backbone to a flat substrate surface is studied by Monte Carlo simulation of a coarse-grained model,…
Curvature Dependence of Surface Free Energy of Liquid Drops and Bubbles: A Simulation Study
B. J. Block, S. K. Das, M. Oettel +2
We study the excess free energy due to phase coexistence of fluids by Monte Carlo simulations using successive umbrella sampling in finite LxLxL boxes with periodic boundary condit…
Two-state protein-like folding of a homopolymer chain
Mark P. Taylor, Wolfgang Paul, Kurt Binder
Many small proteins fold via a first-order "all-or-none" transition directly from an expanded coil to a compact native state. Here we study an analogous direct freezing transition…
Spherical Polymer Brushes Under Good Solvent Conditions: Molecular Dynamics Results Compared to Density Functional Theory
Federica Lo Verso, Sergei A. Egorov, Andrey Milchev +1
A coarse grained model for flexible polymers end-grafted to repulsive spherical nanoparticles is studied for various chain lengths and grafting densities under good solvent conditi…
Monte Carlo simulations of the solid-liquid transition in hard spheres and colloid-polymer mixtures
T. Zykova-Timan, J. Horbach, K. Binder
Monte Carlo simulations at constant pressure are performed to study coexistence and interfacial properties of the liquid-solid transition in hard spheres and in colloid-polymer mix…