Related papers: Lattice-switch Monte Carlo for binary hard-sphere …
We present in detail two variants of the lattice Monte Carlo method aimed at tackling systems in external trapping potentials: a uniform-lattice approach with hard-wall boundary conditions, and a non-uniform Gauss-Hermite lattice approach.…
Nematic liquid crystals confined to geometrically as well as chemically patterned substrate on one end and a flat substrate with strong anchoring on the other is studied using non-Boltzmann Monte Carlo methods. We observe significant…
Spin crossover molecules have recently emerged as a family of compounds potentially useful for implementing molecular spintronics devices. The calculations of the electronic properties of such molecules is a formidable theoretical challenge…
The triangular lattice model with nearest-neighbor attraction and third-neighbor repulsion, introduced in [J. Pekalski, A. Ciach and N. G. Almarza, arXiv:1401.0801 [cond-mat.soft]] is studied by Monte Carlo simulation. Introduction of…
We present a study of mono(benzene)TM and bis(benzene)TM systems, where TM={Mo,W}. We calculate the binding energies by quantum Monte Carlo (QMC) approaches and compare the results with other methods and available experiments. The orbitals…
We have identified the ground state configurations of soft particles (interacting via inverse power potentials) confined between two hard, impenetrable walls. To this end we have used a highly reliable optimization scheme at {\it vanishing}…
We use Monte Carlo simulations to map out the phase diagram of the two dimensional Coulomb gas on a square lattice, as a function of density and temperature. We find that the Kosterlitz-Thouless transition remains up to higher charge…
We present a new Monte Carlo algorithm for studying site or bond percolation on any lattice. The algorithm allows us to calculate quantities such as the cluster size distribution or spanning probability over the entire range of site or bond…
We have performed Monte Carlo simulations for the investigation of dynamic phase transitions on a honeycomb lattice which has garnered a significant amount of interest from the viewpoint of tailoring the intrinsic magnetism in…
Lattice mismatch can substantially impact the spatial organization of heterogeneous materials. We examine a simple model for lattice-mismatched solids over a broad range of temperature and composition, revealing both uniform and spatially…
In this paper, we extend our analysis of lattice systems using the wavelet transform to systems for which exact enumeration is impractical. For such systems, we illustrate a wavelet-accelerated Monte Carlo (WAMC) algorithm, which…
Herein, we study the extended Jaynes-Cummings-Hubbard model mainly by the large-scale worm quantum Monte-Carlo method to check whether or not a light supersolid phase exists in various geometries, such as the one-dimensional chain, square…
The basic problem in equilibrium statistical mechanics is to compute phase space average, in which Monte Carlo method plays a very important role. We begin with a review of nonlocal algorithms for Markov chain Monte Carlo simulation in…
The phase separation of a simple binary mixture of incompatible linear polymers in solution is investigated using an extension of the sedimentation equilibrium method, whereby the osmotic pressure of the mixture is extracted from the…
We use the stochastic series expansion quantum Monte Carlo method to study the Heisenberg models on the square lattice with strong and weak couplings in the form of three different plaquette arrangements known as checkerboard models…
The cold-atom on a two-dimensional square optical lattice is studied within the hard-core boson Hubbard model with an alternating potential. In terms of the quantum Monte Carlo method, it is shown explicitly that a supersolid phase emerges…
We present a massively parallel quantum Monte Carlo based implementation of real-space dynamical mean-field theory for general inhomogeneous correlated fermionic lattice systems. As a first application, we study magnetic order in a binary…
The stability of liquid crystal phases in presence of small amount of non-mesogenic impurities is of general interest for a large spectrum of technological applications and in the theories of binary mixtures. Starting from the known phase…
This is a series of lectures on Monte Carlo results on the non-perturbative, lattice formulation approach to quantum field theory. Emphasis is put on 4D scalar quantum field theory. I discuss real space renormalization group, fixed point…
We performed Monte Carlo simulations in a bilayer system composed by two thin films, one ferromagnetic (FM) and the other antiferromagnetic (AFM). Two lattice structures for the films were considered: simple cubic (sc) and a body center…