Related papers: Static and Dynamic Critical Behavior of a Symmetri…
Molecular dynamic simulations for systems with $D=2,3$ Lennard-Jones-like interactions are studied. In the model, we assume that, at long distances, the two-body attractive potential decays as $r^{-\alpha}$. Thermodynamic extensivity…
We experimentally study the critical properties of the non-equilibrium solid-liquid-like transition that takes place in vibrated granular matter. The critical dynamics is characterized by the coupling of the density field with the…
While Diffusion Monte Carlo (DMC) is in principle an exact stochastic method for \textit{ab initio} electronic structure calculations, in practice the fermionic sign problem necessitates the use of the fixed-node approximation and trial…
The self-organized Monte Carlo simulations of 2D Ising ferromagnet on the square lattice are performed. The essence of devised simulation method is the artificial dynamics consisting of the single-spin-flip algorithm of Metropolis…
We present the speedup from a novel parallel implementation of the multicanonical method on the example of a lattice gas in two and three dimensions. In this approach, all cores perform independent equilibrium runs with identical weights,…
Molecular Dynamic (MD) approach is applied to study the converging cylindrical shock waves in a dense Lennard-Jones (LJ) fluid. MD method is based on tracking of the atom motions and hence it has an fundamental advantages over hydrodynamic…
Linear stability analysis is performed using a combination of two-dimensional Direct Simulation Monte Carlo (DSMC) method for the computation of the basic state and solution of the pertinent eigenvalue problem, as applied to the canonical…
Stochastic sampling algorithms such as Langevin Monte Carlo are inspired by physical systems in a heat bath. Their equilibrium distribution is the canonical ensemble given by a prescribed target distribution, so they must balance…
Equilibrium molecular dynamics simulation and the Green-Kubo formalism were used to calculate self-diffusion coefficient, shear viscosity, and thermal conductivity for 38 different dipolar two-center Lennard-Jones fluids along the bubble…
Using dynamic cluster quantum Monte Carlo simulations, we study the superconducting behavior of a 1/8 doped two-dimensional Hubbard model with imposed uni-directional stripe-like charge density wave modulation. We find a significant…
We investigated the Ising model on a square lattice with ferro and antiferromagnetic interactions modulated by the quasiperiodic Octonacci sequence in both directions of the lattice. We have applied the Replica Exchange Monte Carlo…
A mesoscopic theory for the primitive model of ionic systems is developed for arbitrary size, $\lambda=\sigma_+/\sigma_-$, and charge, $Z=e_+/|e_-|$, asymmetry. Our theory is an extension of the theory we developed earlier for the…
Evaporation and condensation at a liquid/vapor interface are ubiquitous interphase mass and energy transfer phenomena that are still not well understood. We have carried out large scale molecular dynamics simulations of Lennard-Jones (LJ)…
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 conditions. Both the vapor-liquid phase coexistence of a simple…
We introduce a new and very convenient approach to multi-grid Monte Carlo (MGMC) algorithms for general nonlinear $\sigma$-models: it is based on embedding an $XY$ model into the given $\sigma$-model, and then updating the induced $XY$…
Phase separation in binary and ternary fluids is studied using a two dimensional Lattice Gas Automata. The lengths, given by the the first zero crossing point of the correlation function and the total interface length is shown to exhibit…
We propose a method for describing a phase behavior of a system consisting of particles of two sorts. The interaction of each species is described by interaction potentials containing the repulsive and attractive components. Asymmetry is…
We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their…
The main part of the thesis deals with continuously and discretely self-similar solutions and type II critical phenomena in a family of self-gravitating non-linear sigma-models. The phenomena strongly depend on the dimensionless coupling…
The Diffusion Monte Carlo (DMC) method is applied to the water monomer, dimer, and hexamer, using q-TIP4P/F, one of the most simple, empirical water models with flexible monomers. The bias in the time step ($\Delta\tau$) and population size…