Related papers: Simple Model of Membrane Proteins Including Solven…
Monte Carlo simulations and finite-size scaling analysis have been carried out to study the critical behavior in a submonolayer lattice-gas of interacting monomers adsorbed on one-dimensional channels arranged in a triangular…
A surface model on compartmentalized spheres is studied by using the Monte Carlo simulation technique with dynamical triangulations. We found that the model exhibits a variety of phases: the spherical phase, the tubular phase, the planar…
Using analytical calculations and computer simulations we consider both the lateral diffusion of a membrane protein and the fluctuation spectrum of the membrane in which the protein is embedded. The membrane protein interacts with the…
Two-scale models pose a promising approach in simulating reactive flow and transport in evolving porous media. Classically, homogenized flow and transport equations are solved on the macroscopic scale, while effective parameters are…
In this work, we present a mathematical and computational framework to model the dynamics of open lipid bilayer membranes interacting with ambient Stokes flow. The model explicitly couples the three-dimensional viscous fluid, the…
We present a simple coarse-grained bead-and-spring model for lipid bilayers. The system has been developed to reproduce the main (gel-liquid) transition of biological membranes on intermediate length scales of a couple of nanometres and is…
Using Aggregation-Volume-Bias Monte Carlo simulations along with Successive Umbrella Sampling and Histogram Re-weighting, we study the phase diagram of a system of dumbbells formed by two touching spheres having variable sizes, as well as…
We have investigated the phase transition of the gas-liquid type, with an upper critical point, in a variant of the One Component Plasma model (OCP) that has a uniform but compressible compensating background. We have calculated the…
We introduce a simulation strategy to consistently couple continuum biomembrane dynamics to the motion of discrete biological macromolecules residing within or on the membrane. The methodology is used to study the diffusion of integral…
We compute the phase diagram of a one-dimensional model of spinless fermions with pair-hopping and nearest-neighbor interaction, first introduced by Ruhman and Altman, using the density-matrix renormalization group combined with various…
In multi-resolution simulations, different system components are simultaneously modelled at different levels of resolution, these being smoothly coupled together. In the case of enzyme systems, computationally expensive atomistic detail is…
In this paper, we study a hydrodynamic phase-field system modeling the deformation of functionalized membranes in incompressible viscous fluids. The governing PDE system consists of the Navier-Stokes equations coupled with a convective…
We consider a phase-field model which describes the interactions between the blood flow and the thrombus. The latter is supposed to be a viscoelastic material. The potential describing the cohesive energy of the mixture is assumed to be of…
We present a stochastic phase-field model for multicomponent lipid bilayers that explicitly accounts for the quasi-two-dimensional hydrodynamic environment unique to a thin fluid membrane immersed in aqueous solution. Dynamics over a wide…
A soft particle model for diblock (AB) copolymer melts is proposed. Each molecule is mapped onto two soft spheres built by Gaussian A- and B-monomer distributions. An approximate analytical expression for the joint distribution function for…
We present the global phase diagram of the extended boson Hubbard model on a simple cubic lattice by quantum Monte Carlo simulation with worm update algorithm. Four kinds of phases are supported by this model, including superfluid,…
With the rapid advent of biomedical and biotechnological innovations, a deep understanding of the nature of interaction between nanomaterials and cell membranes, tissues, and organs, has become increasingly important. Active penetration of…
Finsler geometric surface model is studied as a coarse-grained model for membranes of three-component such as DOPC, DPPC and Cholesterol. To understand the phase separation of liquid ordered (DPPC rich) $L_o$ and the liquid disordered (DOPC…
We propose a two fluid theory to model a dilute polymer solution assuming that it consists of two phases, polymer and solvent, with two distinct macroscopic velocities. The solvent phase velocity is governed by the macroscopic Navier-Stokes…
We present a lattice model for polymer solutions, explicitly incorporating interactions with a bath of solvent and cosolvent molecules. By exploiting the well-known analogy between polymer systems and the $O(n)$-vector spin model in the…