Related papers: Obtaining pressure versus concentration phase diag…

We have considered a new type of 'XY' model where spins are placed on concentric ring with constant spin density in every ring. The spin executes continuous rotation under a modified Shore-Zwanzig Hamiltonian (J. Chem. Phys. 63, 5445…

We apply a modified mean-field density functional theory to determine the phase behavior of binary mixtures of Stockmayer fluids whose spherical constituents interact according to Lennard-Jones (LJ) pair potentials with embedded pointlike…

Using isobaric Monte Carlo simulations, we map out the entire phase diagram of a system of hard cylindrical particles of length $L$ and diameter $D$, using an improved algorithm to identify the overlap condition between two cylinders. Both…

Monte Carlo switching moves ("perturbations") are defined between two or more classical Hamiltonians sharing a common ground-state energy. The ratio of the density of states (DOS) of one system to that of another is related to the ensemble…

The simulated tempering (ST) is an important method to deal with systems whose phase spaces are hard to sample ergodically. However, it uses accepting probabilities weights which often demand involving and time consuming calculations. Here…

In recent years, developing unsupervised machine learning for identifying phase transition is a research direction. In this paper, we introduce a two-times clustering method that can help select perfect configurations from a set of…

Monte Carlo studies involving real time dynamics are severely restricted by the sign problem that emerges from highly oscillatory phase of the path integral. In this letter, we present a new method to compute real time quantities on the…

We present a study of spin-unpolarized and spin-polarized two-dimensional uniform electron liquids using variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrow-backflow trial wave functions. Ground-state VMC…

We combine machine-learning (ML) techniques with Monte Carlo (MC) simulations and finite-size scaling (FSS) to study continuous and first-order phase transitions in Ising, Blume-Capel, and Ising-metamagnet spin models. We go beyond earlier…

We generalize previous studies on critical phenomena in communication networks by adding computational capabilities to the nodes to better describe real-world situations such as cloud computing. A set of tasks with random origin and…

The equilibrium phase behavior of microphase-forming systems is notoriously difficult to obtain because of the extended metastability of their modulated phases. In this paper we present a systematic simulation methodology for studying…

In this work, we revisited the Ziff-Gulari-Barshad (ZGB) model to study its phase transitions and critical exponents through time-dependent Monte Carlo simulations. We used a method proposed recently to locate the non-equilibrium…

The phase diagram, ($T,\rho$), of a finite, constrained, and classical system is built from the analysis of cluster distributions in phase and configurational space. The obtained phase diagram can be split in three regions. One, low density…

Many spin systems affected by critical slowing down can be efficiently simulated using cluster algorithms. Where such systems have long-range interactions, suitable formulations can additionally bring down the computational effort for each…

We show that short-range correlations have a dramatic impact on the steady-state phase diagram of quantum driven-dissipative systems. This effect, never observed in equilibrium, follows from the fact that ordering in the steady state is of…

The study of alloys using computational methods has been a difficult task due to the usually unknown stoichiometry and local atomic ordering of the different structures experimentally. In order to combat this, first-principles methods have…

Using fermionic representation of spin degrees of freedom within the Popov-Fedotov approach we develop an algorithm for Monte Carlo sampling of skeleton Feynman diagrams for Heisenberg type models. Our scheme works without modifications for…

We study the performance of Monte Carlo simulations that sample a broad histogram in energy by determining the mean first-passage time to span the entire energy space of d-dimensional ferromagnetic Ising/Potts models. We first show that…

Monodisperse ensembles of particles that have cluster crystalline phases at low temperatures can model a number of physical systems, such as vortices in type-1.5 superconductors, colloidal suspensions and cold atoms. In this work we study a…

A microscopic model of adsorption in cluster forming systems with competing interaction is considered. The adsorption process is described by the master equation and modelled by a kinetic Monte Carlo method. The evolution of the particle…