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We report on a new method to extract thermodynamic properties from the density of partition function zeroes on finite lattices. This allows direct determination of the order and strength of phase transitions numerically. Furthermore, it…
Monte Carlo simulations are used to examine cooperative creation of polar state in fluids of two-state particles with nonzero dipole in the excited state. With lowering temperature such systems undergo a second order transition from…
We show that the study of critical properties of the Blume-Capel model at two dimensions can be deduced from Monte Carlo simulations with good accuracy even for small system sizes when one analyses the behaviour of the zeros of the…
This chapter is devoted to the computation of equilibrium (thermodynamic) properties of quantum systems. In particular, we will be interested in the situation where the interaction between particles is so strong that it cannot be treated as…
We investigate the critical behavior of the two-dimensional spin-$1$ Baxter-Wu model in the presence of a crystal-field coupling $\Delta$ with the goal of determining the universality class of transitions along the second-order part of the…
We develop a Monte Carlo framework to analyze the statistics of quantum work in correlated electron systems. Using the Ising-Kondo model in heavy fermions as a paradigmatic platform, we thoroughly illustrate the process of determining the…
We propose a novel computational strategy to study the glass transition of molecular fluids. Our approach combines the construction of simple yet realistic models with the development of Monte Carlo algorithms to accelerate equilibration…
The standard approach for path integral Monte Carlo simulations of open quantum systems is extended as an efficient tool to monitor the time evolution of coherences (off-diagonal elements of the reduced density matrix) also for strong…
We describe a novel method to obtain thermodynamic properties of quantum systems using Baysian Inference -- Maximum Entropy techniques. The method is applicable to energy values sampled at a discrete set of temperatures from Quantum Monte…
Based on the short-time dynamic scaling form, a novel dynamic approach is proposed to tackle numerically the Kosterlitz-Thouless phase transition. Taking the two-dimensional XY model as an example, the exponential divergence of the spatial…
Inverse problems arise in situations where data is available, but the underlying model is not. It can therefore be necessary to infer the parameters of the latter starting from the former. Statistical mechanics offers a toolbox of…
Recent advances in steady-state analysis of power systems have introduced the equivalent split-circuit approach and corresponding continuation methods that can reliably find the correct physical solution of large-scale power system…
We present a formalism of the transition matrix Monte Carlo method. A stochastic matrix in the space of energy can be estimated from Monte Carlo simulation. This matrix is used to compute the density of states, as well as to construct…
By the Wolff's cluster Monte Carlo simulations and numerical minimization within a mean field approach, we study the low temperature phase diagram of water, adopting a cell model that reproduces the known properties of water in its fluid…
The computational cost of a Monte Carlo algorithm can only be meaningfully discussed when taking into account the magnitude of the resulting statistical error. Aiming for a fixed error per particle, we study the scaling behavior of the…
The equation of state of a system at equilibrium may be derived from the canonical or the grand canonical partition function. The former is a function of temperature T, while the latter also depends on the chemical potential \mu for…
The magnetic phase transition in a Heisenberg fluid is studied by means of the finite size scaling (FSS) technique. We find that even for larger systems, considered in an ensemble with fixed density, the critical exponents show deviations…
Employing a classical density-functional description of liquid environments, we introduce a rigorous method for the diffusion quantum Monte Carlo calculation of free energies and thermodynamic averages of solvated systems that requires…
Monte Carlo simulations of systems with a complex action are known to be extremely difficult. A new approach to this problem based on a factorization property of distribution functions of observables has been proposed recently. The method…
We introduce a coherence susceptibility method, based on the fact that it signals quantum fluctuations, for identifying quantum phase transitions, which are induced by quantum fluctuations. This method requires no prior knowledge of order…