Related papers: The Monte Carlo Method for the Orthonickelate Mode…
Many metastable systems can nucleate to multiple competing stable or intermediate metastable states. In this work, a Potts model, subject to external fields, is used to study the competitive nucleation of two phases attempting to grow on a…
We introduce a general Monte Carlo scheme for achieving atomistic simulations with monoelectronic Hamiltonians including the thermalization of both nuclear and electronic degrees of freedom. The kinetic Monte Carlo algorithm is used to…
Heterogeneous nucleation is studied by Monte Carlo simulations and phenomenological theory, using the two-dimensional lattice gas model with suitable boundary fields. A chemical inhomogeneity of length b at one boundary favors the liquid…
A classical Monte Carlo algorithm based on the quasi-classical approximation is applied to the pseudospin Hamiltonian of the model cuprate. The model takes into account both local and non-local correlations, Heisenberg spin-exchange…
A new Monte Carlo approach is proposed to investigate the fluid-solid phase transition of the polydisperse system. By using the extended ensemble, a reversible path was constructed to link the monodisperse and corresponding polydisperse…
The diffusion Monte Carlo method with symmetry-based state selection is used to calculate the quantum energy states of H$_2^+$ confined into potential barriers of atomic dimensions (a model for these ions in solids). Special solutions are…
A spherical model of skeleton with junctions is investigated by Monte Carlo simulations. The model is governed by one-dimensional bending energy. The results indicate that the model undergoes a first-order transition separating the smooth…
In order to understand the possible sequence of transitions from the disordered columnar phase to the helical phase in hexa(hexylthio)triphenylene (HHTT), we study a three-dimensional planar model with octupolar interactions inscribed on a…
We derive exact, universal, closed-form quantum Monte Carlo estimators for finite-temperature energy susceptibility and fidelity susceptibility, applicable to essentially arbitrary Hamiltonians. Combined with recent advancements in Monte…
A general formulation is presented to derive the equation of motion and to demonstrate thermodynamic consistency for several classes of phase field models at once. It applies to models with a conserved phase field, describing either uniform…
One of the most active areas of physics in the last decades has been that of critical phenomena, and Monte Carlo simulations have played an important role as a guide for the validation and prediction of system properties close to the…
The classical two-dimensional discrete frustrated $\phi ^4$ model is studied by Monte Carlo simulations. The correlation function is obtained for two values of a parameter $d$ that determines the frustration in the model. The ground state…
A vector bosonic field coupled to the electronic spin is treated by means of the continuous-time quantum Monte Carlo method. In the Bose Kondo model with a sub-Ohmic density of states $\rho_{B}(\omega) \propto \omega^{s}$ with s=0.2, two…
An effective Ising model for the spin-ice type Kondo lattice model is investigated by the classical Monte Carlo simulation. We clarify the magnetic phase diagram with four phases: ice-ferro, ice-(0,0,2\pi), 32-sublattice, and all-in/all-out…
We study the ground state phase diagram and the critical properties of interacting Bosons in one dimension by means of a quantum Monte Carlo technique. The direct experimental realization is a chain of Josephson junctions. For finite-range…
We investigate by means of Monte Carlo simulations the dynamic phase transition of the two-dimensional kinetic Blume-Capel model under a periodically oscillating magnetic field in the presence of a quenched random crystal-field coupling. We…
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 propose a new type of Monte-Carlo method which enables us to study the excited state of many-body systems.
We address a numerical methodology for the computation of coarse-grained stable and unstable manifolds of saddle equilibria/stationary states of multiscale/stochastic systems for which a "good" macroscopic description in the form of…
In this paper we demonstrate the feasibility and utility of an augmented version of the Gibbs ensemble Monte Carlo method for computing the phase behavior of systems with strong, extremely short-ranged attractions. For generic potential…