Related papers: Lattice-switch Monte Carlo for binary hard-sphere …
A mixture of two types of hard-sphere bosons in a disk-shaped harmonic trap is studied through path-integral quantum Monte Carlo simulation at low temperature. We find that the system can undergo a phase transition to break the spatial…
Phase transformations can be difficult to characterize at the microscopic level due to the inability to directly observe individual atomic motions. Model colloidal systems, by contrast, permit the direct observation of individual particle…
In recent work we revisited the phase diagram of hard ellipsoids of revolution (spheroids) by means of replica exchange Monte Carlo simulations. This was done by setting random initial configurations, and allows to confirm the formation of…
Describing correlated electron systems near phase transitions has been a major challenge in computational condensed-matter physics. In this paper, we apply highly accurate fixed node quantum Monte Carlo techniques, which directly work with…
Phase diagram of a spin-ice type Kondo lattice model, potentially relevant to metallic pyrochlore oxides, is obtained by the Monte Carlo simulation implementing the polynomial expansion technique up to the system size with 2048 sites. We…
The phase diagram of a system of monodispersed hard rectangles of size $m\times m k$ on a square lattice is numerically determined for $m=2,3$ and aspect ratio $k= 1,2,\ldots, 7$. We show the existence of a disordered phase, a nematic phase…
Mean-field approximation is often used to explore the qualitative behaviour of phase transitions in classical spin models before employing computationally costly methods such as the Monte-Carlo techniques. We implement a 'lattice…
Monte Carlo simulations and dynamical mean-field approximations are performed to study the phase transitions in rock-scissors-paper game on different host networks. These graphs are originated from lattices by introducing quenched and…
In this work we study a disordered binary Ising model on the square lattice. The model system consists of two different particles with spin-1/2 and spin-1, which are randomly distributed on the lattice. It has been considered only spin…
We introduce a new numerical technique -- bosonic auxiliary-field Monte Carlo (bAFMC) -- which allows to calculate the thermal properties of large lattice-boson systems within a systematically improvable semiclassical approach, and which is…
We present computer simulations of a dynamic Monte Carlo algorithm for polymer chains on the FCC lattice which takes explicitly into account the possibility to overcome topological constraints by controlling the rate at which nearby polymer…
Monte Carlo simulations are carried out on the (3+1)-dimensional Z(2) anisotropic lattice model, and a new method to simulate extremely anisotropic lattice systems with discrete symmetries is proposed. Dependence of the temporal and spatial…
We investigate the quantum phases of ultracold atoms trapped in a vortex lattice using a mixture of two bosonic species (A and B), in the presence of an artificial gauge field. Heavy atoms of species B are confined in the array of vortices…
Molecular crystals play a central role in a wide range of scientific fields, including pharmaceuticals and organic semiconductor devices. However, they are challenging systems to model accurately with computational approaches because of a…
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…
Energies of four-quark systems calculated by the static quenched SU(2) lattice Monte Carlo method are analyzed in $2\times 2$ bases for square, rectangle, tilted rectangle, linear and quadrilateral geometry configurations and in $3\times 3$…
Extensive Monte Carlo simulations are performed to analyze a recent neutron diffraction experiment on a distorted triangular lattice compound RbCoBr$_3$. We consider a spin-lattice model, where both spin and lattice are Ising variables.…
The phase diagram of colloidal hard superballs, of which the shape interpolates between cubes and octahedra via spheres, is determined by free-energy calculations in Monte Carlo simulations. We discover not only a stable face-centered cubic…
We study the phase diagram of a system of $2\times2\times2$ hard cubes on a three dimensional cubic lattice. Using Monte Carlo simulations, we show that the system exhibits four different phases as the density of cubes is increased:…
Phase diagrams for multi-component systems represent crucial information for understanding and designing materials but are very time consuming to assess experimentally. Computational modeling plays an increasingly important role in this…