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Hubbard-type models on the hexagonal lattice are of great interest, as they provide realistic descriptions of graphene and other related materials. Hybrid Monte Carlo simulations offer a first-principles approach to study their phase…
Exploratory simulations of Bose-Fermi mixtures on the three-dimensional optical lattice at finite temperature are performed by adopting the lattice quantum chromodynamics technique. We analyze the bosonic superfluid transition and its…
We study with lattice Monte Carlo simulations the interactions and macroscopic behaviour of a large number of vortices in the 3-dimensional U(1) gauge+Higgs field theory, in an external magnetic field. We determine non-perturbatively the…
We study the effects of frozen boundaries in a Monte Carlo simulation near a first order phase transition. Recent theoretical analysis of the dynamics of first order phase transitions has enabled to state the scaling laws governing the…
Monte-Carlo simulations and ground-state calculations have been used to map out the phase diagram of a system of classical spins, on a simple cubic lattice, where nearest-neighbor pairs of spins are coupled via competing antiferromagnetic…
In principle, the probability of configurations, determined by the system's partition function or wave function, encapsulates essential information about phases and phase transitions. Despite the exponentially large configuration space, we…
Investigations of the phase diagram of biaxial liquid crystal systems through analyses of general Hamiltonian models within the simplifications of mean-field theory (MFT), as well as by computer simulations based on microscopic models, are…
An overview is given over the recently developed and now widely used Monte Carlo algorithms with reduced or eliminated critical slowing down. The basic techniques are overrelaxation, cluster algorithms and multigrid methods. With these…
The J$_1$-J$_2$ Ising model in the square lattice in the presence of an external field is studied by two approaches: the Cluster Variation Method (CVM) and Monte Carlo simulations. The use of the CVM in the square approximation leads to the…
The edge-cubic spin model on square lattice is studied via Monte Carlo simulation with cluster algorithm. By cooling the system, we found two successive symmetry breakings, i.e., the breakdown of $O_h$ into the group of $C_{3h}$ which then…
This chapter is a pedagogical review of the Hubbard model for bosons with repulsion and for fermions with attraction and repulsion primarily using two methods, one chosen for its simplicity and insights (mean field theory) and the other…
The Metropolis Monte Carlo (MC) method is used to extract reaction kinetics from a given equilibrium distribution of states of a complex system. The approach is illustrated by the folding/unfolding reaction for two proteins - a model…
Variational Monte Carlo is a many-body numerical method that scales well with system size. It has been extended to study the Green function only recently by Charlebois and Imada (2020). Here we generalize the approach to systems with open…
Monte Carlo techniques play a central role in statistical mechanics approaches for connecting macroscopic thermodynamic and kinetic properties to the electronic structure of a material. This paper describes the implementation of Monte Carlo…
We introduce and discuss Monte Carlo methods in quantum field theories. Methods of independent Monte Carlo, such as random sampling and importance sampling, and methods of dependent Monte Carlo, such as Metropolis sampling and Hamiltonian…
Monte Carlo is one of the most useful methods to study the quantum Hall problems. In this paper, we introduce a fast lattice Monte Carlo method based on a mathematically exact reformulation of the torus quantum Hall problems from continuum…
We investigate the critical relaxational dynamics of the S=1/2 Heisenberg ferromagnet on a simple cubic lattice within the Handscomb prescription on which it is a diagrammatic series expansion of the partition function that is computed by…
Perturbative coefficients for Wilson loops and the static quark self-energy are extracted from Monte Carlo simulations at large beta on finite volumes, where all the lattice momenta are large. The Monte Carlo results are in excellent…
In this Ph.D. thesis quantum Monte Carlo methods are applied to investigate the properties of a number of ultracold quantum systems. In Chapter 1 we discuss the analytical approaches and approximations used in the subsequent Chapters; also…
We study a three-state Potts model extended by allowing cyclic dominance between the states as it appears for the rock-scissors-paper game. Monte Carlo simulations are performed on a square lattice when varying the temperature and the…