Related papers: Hard ellipsoids: analytically approaching the exac…
We implemented the replica exchange Monte Carlo technique to produce the equation of state of hard 1:5 aspect-ratio oblate ellipsoids for a wide density range. For this purpose, we considered the analytical approximation of the overlap…
In this work the well-known Frenkel-Mulder phase diagram of hard ellipsoids of revolution [Mol. Phys. 55, 1171 (1985)] is revisited by means of replica exchange Monte Carlo simulations. The method provides good sampling of dense systems and…
In this work a replica exchange Monte Carlo scheme which considers an extended isobaric-isothermal ensemble with respect to pressure is applied to study hard spheres (HS). The idea behind the proposal is expanding volume instead of…
Monte Carlo simulations are performed for hard ellipsoids for a number of values of its semi-axes in the range $c/a \in \{0.1,10\}$. The isotropic phase results are compared to the Vega equation of state [Mol. Phys. {\bf 92} (1997)…
We use replica exchange Monte-Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte-Carlo simulations do not easily…
Overlap between two neural quantum states can be computed through Monte Carlo sampling by evaluating the unnormalized probability amplitudes on a subset of basis configurations. Due to the presence of probability amplitude ratios in the…
We present an efficient Monte Carlo algorithm for determining the density of states which is based on the statistics of transition probabilities between states. By measuring the infinite temperature transition probabilities--that is, the…
We present an in-depth analysis of the geometrical percolation behavior in the continuum of random assemblies of hard oblate ellipsoids of revolution. Simulations where carried out by considering a broad range of aspect-ratios, from spheres…
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…
The Maximum Balanced Biclique Problem (MBBP) is a prominent model with numerous applications. Yet, the problem is NP-hard and thus computationally challenging. We propose novel ideas for designing effective exact algorithms for MBBP.…
Computer simulations are used to study a three-dimensional polydisperse model glassformer in a replica-coupling setup where an attractive field $\propto - \varepsilon Q$ of strength $\varepsilon$ can adjust the similarity of the system to a…
In recent years the Swap Monte Carlo algorithm has led to remarkable progress in equilibrating supercooled model liquids at low temperatures. Applications have so far been limited to systems composed of spherical particles, however, whereas…
Analysing (e,e'p) experimental data involves corrections for radiative effects which change the interaction kinematics and which have to be carefully considered in order to obtain the desired accuracy. Missing momentum and energy due to…
A boundary-based net-exchange Monte Carlo method was introduced in [1] that allows to bypass the difficulties encountered by standard Monte Carlo algorithms in the limit of optically thick absorption (and/or for quasi-isothermal…
We use the replica method to study the ideal glass transition of a liquid of identical Hard Spheres. We obtain estimates of the configurational entropy in the liquid phase, of the Kauzmann packing fraction, in the range 0.58--0.62, and of…
Using exact continuous quantum Monte Carlo techniques, we study the zero and finite temperature properties of a system of harmonically trapped one dimensional spin 1/2 fermions with short range interactions. Motivated by experimental…
We study the Maximum Weight Matching (MWM) problem for general graphs through the max-product Belief Propagation (BP) and related Linear Programming (LP). The BP approach provides distributed heuristics for finding the Maximum A Posteriori…
We study a reweighting method aiming at numerical studies of QCD at finite density, in which the conventional Monte-Carlo method cannot be applied directly. One of the most important problems in the reweighting method is the overlap…
An off-lattice Monte Carlo algorithm for solutions of equilibrium polymers (EP) is proposed. At low and moderate densities this is shown to reproduce faithfully the (static) properties found recently for flexible linear EP using a lattice…
Motivated by the disagreement between recent diffusion Monte Carlo calculations and experiments on the phase transition pressure between the ambient and beta-Sn phases of silicon, we present a study of the HCP to BCC phase transition in…