Related papers: Coarse-grained depletion potentials for anisotropi…
We present an approach for calculating coarse-grained angle-resolved effective pair potentials for uniaxial molecules. For integrating out the intramolecular degrees of freedom we apply umbrella sampling and steered dynamics techniques in…
We develop a computational method for modeling electrostatic interactions of arbitrarily-shaped, polarizable objects on colloidal length scales, including colloids/nanoparticles, polymers, and surfactants, dispersed in explicit ion…
We consider the interaction of two-dimensional colloids, in nematic liquid crystals, with walls or geometrical boundaries. The interactions between colloidal disks and flat walls, with homeotropic boundary conditions, are always repulsive.…
We calculate the second and third virial coefficients of the effective sphere-sphere interaction due to polymer depletion. By utilizing the anisotropy of a typical polymer conformation, we can consider polymers that are roughly the same…
The slow dynamics for a colloidal suspension of particles interacting with a hard-core repulsion complemented by a short-ranged attraction is discussed within the frame of mode-coupling theory for ideal glass transitions for parameter…
Structural and thermodynamic consistency of coarse-graining models across multiple length scales is essential for the predictive role of multi-scale modeling and molecular dynamic simulations that use mesoscale descriptions. Our approach is…
Quantum gases of ultracold polar molecules have novel properties because of the strong dipolar forces between molecules. Current experiments shield the molecules from destructive collisions by engineering long-range repulsive interactions…
Motivated by the recent progress in cooling and trapping polar molecules, we present a simplified version of the rigorous contact pseudopotential for anisotropically-interacting polarized particles [A. Derevianko, Phys. Rev. A 67, 033607…
We investigate Monte Carlo simulation strategies for determining the effective ("depletion") potential between a pair of hard spheres immersed in a dense sea of much smaller hard spheres. Two routes to the depletion potential are…
We present a coarse-grained model for linear polymers with a tunable number of effective atoms (blobs) per chain interacting by intra- and inter-molecular potentials obtained at zero density. We show how this model is able to accurately…
The general form of the electrostatic potential around an arbitrarily charged colloid at an interface between a dielectric and a screening phase (such as air and water, respectively) is analyzed in terms of a multipole expansion. The…
Effective interactions between charged particles dispersed in an electrolyte are most commonly modeled using the Derjaguin-Landau-Verwey-Overbeek (DLVO) potential, where the ions in the suspension are coarse-grained out at mean-field level.…
In this article we present a new formulation and an associated algorithm for the simultaneous numerical simulation of multiple condensed phase explosives in direct contact with each other, which may also be confined by (or interacting with…
We use thermodynamic perturbation theory to calculate the free energies and resulting phase diagrams of binary systems of spherical colloidal particles and interacting polymer coils in good solvent within an effective one-component…
Using Brownian dynamics (BD) simulations and an analytical approach we investigate the shear-induced, nonequilibrium dynamics of dense colloidal suspensions confined to a narrow slit-pore. Focusing on situations where the colloids arrange…
The HNC Ornstein-Zernike integral equations are used to determine the properties of simple models of colloidal solutions where the colloids and ions are immersed in a solvent considered as a dielectric continuum and have a size ratio equal…
Entropic entanglement measures of a two-dimensional system of two Coulombically interacting particles confined in an anisotropic harmonic potential are discussed in dependence on the anisotropy and the interaction strength. The harmonic…
Depletion interactions between colloidal particles dispersed in a fluid medium are effective interactions induced by the presence of other types of colloid. They are not instantaneous but build up in time. We show by means Brownian dynamics…
The method of Q-cumulants is a powerful tool to study the fine details of azimuthal anisotropies in high energy nuclear collisions. This paper presents a new method, based on mathematical induction, to evaluate the analytical form of the…
We present a versatile density functional approach (DFT) for calculating the depletion potential in general fluid mixtures. In contrast to brute force DFT, our approach requires only the equilibrium density profile of the small particles…