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We present phase diagrams, free-energy landscapes, and order-parameter distributions for a model spin-crossover material with a two-step transition between the high-spin and low-spin states (a square-lattice Ising model with…
We describe how density-functional theory, well-known for its many uses in ab initio calculations of electronic structure, can be used to study the ground state of inhomogeneous model Hamiltonians. The basic ideas and concepts are discussed…
The density of states of the two-dimensional fermionic Hubbard model in the perpendicular homogeneous magnetic field is calculated using the strong coupling diagram technique. The density of states at the Fermi level as a function of the…
Here is proposed a general subgraph-based method for efficiently sampling certain graphical models, typically using subgraphs of a fixed treewidth, and also a related method for finding minimum energy (ground) states. In the case of models…
The ferromagnet-to-paramagnet transition of the four-dimensional random-field Ising model with Gaussian distribution of the random fields is studied. Exact ground states of systems with sizes up to 32^4 are obtained using graph theoretical…
We present a rigorous derivation for off-lattice implementations of the so-called "random-walk" algorithm recently introduced by Wang and Landau [PRL 86, 2050 (2001)]. Originally developed for discrete systems, the algorithm samples…
For a second-order phase transition the critical energy range of interest is larger than the energy range covered by a canonical Monte Carlo simulation at the critical temperature. Such an extended energy range can be covered by performing…
Hong-Ou-Mandel interferometry takes advantage of the quantum nature of two-photon interference to increase the resolution of precision measurements of time-delays. Relying on few-photon probe states, this approach is applicable also in…
The antiferromagnetic Ising model samples subsets of vertices of a graph with weight decaying exponentially in the number of edges induced. We study the problem of sampling from this model on the class of bipartite, regular graphs with good…
We introduce a generic, parallel Wang-Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping…
Ensuring a satisfactory statistical convergence of anharmonic thermodynamic properties requires sampling of many atomic configurations, however the methods to obtain those necessarily produce correlated samples, thereby reducing the…
Thermodynamic properties of the ferromagnetic Ising model on the hierarchical pentagon lattice is studied by means of the tensor network methods. The lattice consists of pentagons, where 3 or 4 of them meet at each vertex. Correlation…
We demonstrate the application of the Metropolis-Hastings algorithm to sampling of classical thermal states of one-dimensional Bose-Einstein quasicondensates in the classical fields approximation, both in untrapped and harmonically trapped…
Monte Carlo simulation has been performed in one-dimensional Lebwohl-Lasher model and two dimensional XY-model using the Wang-Landau and the Wang-Landau-Transition-Matrix Monte Carlo methods. Random walk has been performed in the…
We have developed a scanning photoluminescence technique that can directly map out the local two-dimensional electron density with a relative accuracy of $\sim2.2\times10^8$ cm$^{-2}$. The validity of this approach is confirmed by the…
We investigate the effects of quenched bond randomness on the critical properties of the two-dimensional ferromagnetic Ising model embedded in a triangular lattice. The system is studied in both the pure and disordered versions by the same…
We derive the sampling probability density function (pdf) of an ideal localized random electromagnetic field, its amplitude and intensity in an electromagnetic environment that is quasi-statically time-varying statistically homogeneous or…
We study classical Ising spin-$\frac{1}{2}$ models on the 2D square lattice with ferromagnetic or antiferromagnetic nearest-neighbor interactions, under the effect of a pure imaginary magnetic field. The complex Boltzmann weights of spin…
In this work we propose a criterion to finish the simulations of the Wang-Landau sampling. Instead of determining a final modification factor for all simulations and every sample sizes, we investigate the behavior of the temperature of the…
The multiple range random walk algorithm recently proposed by Wang and Landau [Phys. Rev. Lett. 86, 2050 (2001)] is adapted to the computation of free energy profiles for molecular systems along reaction coordinates. More generally, we show…