Related papers: A numerical method for determining the interface f…
Monte Carlo simulations using Wang-Landau sampling are performed to study three-dimensional chains of homopolymers on a lattice. We confirm the accuracy of the method by calculating the thermodynamic properties of this system. Our results…
Motivated by the direct observation of electronic phase separation in first-order Mott transitions, we model the interface between the thermodynamically coexisting metal and Mott insulator. We show how to model the required slab geometry…
Triangulations are important objects of study in combinatorics, finite element simulations and quantum gravity, where its entropy is crucial for many physical properties. Due to their inherent complex topological structure even the number…
The critical behavior of a 3D Ising-like system is studied at the microscopic level of consideration. The free energy of ordering is calculated analytically as an explicit function of temperature, an external field and the initial…
We study 2D wedge wetting using a continuum interfacial Hamiltonian model which is solved by transfer-matrix methods. For arbitrary binding potentials, we are able to exactly calculate the wedge free-energy and interface height distribution…
Interfaces between demixed fluid phases of binary mixtures of hard platelets are investigated using density-functional theory. The corresponding excess free energy functional is calculated within a fundamental measure theory adapted to the…
A variety of methods are developed for characterising the free energy landscapes of continuum, Landau-type free energy models. Using morphologies of lipid vesicles and a multistable liquid crystal device as examples, I show that the methods…
We present estimates for the 3D Ising model on the cubic lattice, both regarding interface and bulk properties. We have results for the interface tension, in particular the amplitude sigma0 in the critical law sigma = sigma0*t**mu, and for…
The problem of determining the ground state of a $d$-dimensional interface embedded in a $(d+1)$-dimensional random medium is treated numerically. Using a minimum-cut algorithm, the exact ground states can be found for a number of problems…
The Replica Exchange Wang-Landau Method is used to estimate the energy landscape of a polymer composed of a simple hydrophobic and polar sequence using the HP protein model. Calculations of state transitions between the energy levels of the…
We consider a class of systems where $N$ identical particles with positions ${\bf q}_1,...,{\bf q}_N$ and momenta ${\bf p}_1,...,{\bf p}_N$ are enclosed in a box of size $L$, and exhibit the scaling $\mathcal{U}(L{\bf r}_1,...,L{\bf…
Using Molecular Dynamics simulations based on the effective hamiltonian developed by Zhong, Vanderbilt and Rabe [Phys. Rev. Lett. {\bf 73}, 1861 (1994)] (and fitted on first-principles calculations only), the technique of the thermodynamic…
We study the directed polymer of length $t$ in a random potential with fixed endpoints in dimension 1+1 in the continuum and on the square lattice, by analytical and numerical methods. The universal regime of high temperature $T$ is…
We compare the predictions of the Nambu-Goto effective string model with a set of high precision Monte Carlo results for interfaces with periodic boundary conditions in the 3D Ising model. We compute the free energy in the covariant gauge…
The Euler-Lagrange equation of the phase-field crystal (PFC) model has been solved under appropriate boundary conditions to obtain the equilibrium free energy of the body centered cubic crystal-liquid interface for 18 orientations at…
We revisit the nature of the quasi-one-dimensional Ising model on the basis of Wang-Landau simulation. We introduce the density of states in the two-dimensional energy space corresponding to the intra- and inter-chain directions. We then…
We apply the recently developed critical minimum energy subspace scheme for the investigation of the random-field Ising model. We point out that this method is well suited for the study of this model. The density of states is obtained via…
The dynamics of the normal/superconducting interface in type-I superconductors has recently been derived from the time-dependent Ginzburg-Landau theory of superconductivity. In a suitable limit these equations are mapped onto a…
We present modified Wang-Landau algorithm for models with continuous degrees of freedom. We demonstrate this algorithm with the calculation of the joint density of states $g(M,E)$ of ferromagnet Heisenberg models. The joint density of…
This work addresses the question of whether it is possible to define simple pair-wise interaction terms to approximate free energies of proteins or polymers. Rather than ask how reliable a potential of mean force is, one can ask how…