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Direct sampling of multi-dimensional systems with quantum Monte Carlo methods allows exact account of many-body effects or particle correlations. The most straightforward approach to solve the Schr\"odinger equation, Diffusion Monte Carlo,…
We consider how the Lee-Yang description of phase transitions in terms of partition function zeros applies to nonequilibrium systems. Here one does not have a partition function, instead we consider the zeros of a steady-state normalization…
The phase transition in the XY model on one-dimensional small-world networks is investigated by means of Monte-Carlo simulations. It is found that long-range order is present at finite temperatures, even for very small values of the…
Tunnelling measurements on fractional quantum Hall systems are continuing to increase in popularity since they provide a method to probe the non-Fermi liquid behaviour of fractionally charged excitations occupying the edge states of a…
To develop, calibrate and/or validate continuum models from experimental or numerical data, micro-macro transition methods are required. These methods are used to obtain the continuum fields (such as density, momentum, stress) from the…
Monte Carlo simulation is one of the most important tools in the study of diffusion processes. For constant diffusion coefficients, an appropriate Gaussian distribution of particle's steplengths can generate exact results, when compared…
This article is devoted to the study of certain models for phase transitions involving nonlocal energies. A first part is concerned with to the asymptotic analysis of a system of fractional elliptic equations of Allen-Cahn type as a…
Zero- and two-dimensional crystal defects form in open statistical ensembles, such as the grand canonical, that are usually inaccessible with conventional simulation techniques. This longstanding challenge is overcome with a new Hamiltonian…
Elastic systems that are spatially heterogeneous in their mechanical response pose special challenges for molecular simulations. Standard methods for sampling thermal fluctuations of a system's size and shape proceed through a series of…
We present a Monte-Carlo study of the liquid-vapor transition and the critical behavior of a model of polyelectrolytes with soft gaussian charge distributions introduced recently by Coslovich, Hansen, and Kahl [J. Chem. Phys. \textbf{134},…
With the help of the replica exchange Monte Carlo method and the improved Monte Carlo renormalization-group scheme, we investigate over a wide area in the phase diagram of the Gaussian random field Ising model on the simple cubic lattice.…
We show that one can employ well-established numerical continuation methods to efficiently calculate the phase diagram for thermodynamic systems. In particular, this involves the determination of lines of phase coexistence related to first…
The hot nucleus $^{162}\mathrm{Dy}$ is investigated using covariant density functional theory, where the shell-model-like approach treats the pairing correlation. Lee-Yang's theorem is applied to classify the pairing phase transition by…
Interacting single-level quantum dot connected to BCS superconducting leads represents a well-controllable system to study the interplay between the correlation effects and the electron pairing that can result in a $0-\pi$ (singlet-doublet)…
The nonequilibrium phase transition has been studied by Monte Carlo simulation in a ferromagnetically interacting (nearest neighbour) kinetic Ising model in presence of a sinusoidally oscillating magnetic field. The ('specific-heat')…
We propose two machine-learning methods based on neural networks, which we respectively call the phase-classification method and the temperature-identification method, for detecting different types of phase transitions in the XXZ models…
Spreading from a seed is studied by Monte Carlo simulation on a square lattice with two types of sites affecting the rates of birth and death. These systems exhibit a critical transition between survival and extinction. For time- dependent…
Thermal or finite-size scaling analyses of importance sampling Monte Carlo time series in the vicinity of phase transition points often combine different estimates for the same quantity, such as a critical exponent, with the intent to…
The increasing frequency of extreme weather events poses significant risks to power distribution systems, leading to widespread outages and severe economic and social consequences. This paper presents a novel simulation framework for…
A two-dimensional fluid of hard spheres each having a spin $\pm 1$ and interacting via short-range Ising-like interaction is studied near the second order phase transition from the paramagnetic gas to the ferromagnetic gas phase. Monte…