Related papers: Hybrid Quantum-Classical Monte-Carlo Study of a Mo…
In this work, we study a biquadratic Heisenberg model with coupled orbital degree of freedom using Monte Carlo simulation in order to investigate the phase transitions in iron-based superconductors. The antiferro-quadrupolar state, which…
One bottleneck of quantum Monte Carlo (QMC) simulation of strongly correlated electron systems lies at the scaling relation of computational complexity with respect to the system sizes. For generic lattice models of interacting fermions,…
We implement a cluster-update Monte Carlo algorithm to simulate magnetic dipoles of the XY-spin type confined in a two-dimensional plane. The long-range character and anisotropy in the dipole interaction are handled by using the…
We present quantitative means for assessing the numerical accuracy of static magnetic field calculations in finite-element models. Our calculations use the three-dimensional Opera simulation software suite of Dassault Syst`emes. Our need to…
The magnetic properties and phase diagrams of the mixed spin Ising model, with spins S=1 and {\sigma}=1/2 on a centered rectangular structure, have been investigated using Monte Carlo simulations based on the Metropolis algorithm. Every…
One of the open challenges in quantum computing is to find meaningful and practical methods to leverage quantum computation to accelerate classical machine learning workflows. A ubiquitous problem in machine learning workflows is sampling…
We examine ground state properties of the spin-1/2 easy-axis Heisenberg model on the Shastry-Sutherland lattice with ferromagnetic transverse spin exchange using quantum Monte Carlo and degenerate perturbation theory. For vanishing…
An efficient simulation-based methodology is proposed for the rolling window estimation of state space models, called particle rolling Markov chain Monte Carlo (MCMC) with double block sampling. In our method, which is based on Sequential…
A mean-field model to describe electron transfer processes in ion-molecule collisions at the $\hbar =0$ level is presented and applied to collisions involving water and ammonia molecules. Multicenter model potentials account for the…
The magnetization process of a frustrated spin-1/2 spin-dimer model on a square lattice is investigated by means of a sign-problem-free quantum Monte Carlo algorithm developed recently. Rich field-induced quantum phases are discovered. We…
We present a loop cluster algorithm Monte Carlo method for calculating the local Z_2 Berry phase of the quantum spin models. The Berry connection, which is given as the inner product of two ground states with different local twist angles,…
Binary magnetic square lattice Ising system with nearest neighbour interactions were simulated using the Monte Carlo technique. Two types of ions were randomly distributed on the lattice sites, one type interacting ferromagnetic and the…
We construct asymptotic arguments for the relative efficiency of rejection-free Monte Carlo (MC) methods compared to the standard MC method. We find that the efficiency is proportional to $\exp{({const} \beta)}$ in the Ising, $\sqrt{\beta}$…
By using the Wang-Landau flat-histogram Monte Carlo (MC) method for very large lattice sizes never simulated before, we show that the phase transition in the frustrated Heisenberg stacked triangular antiferromagnet is of first-order,…
We propose to combine the Trotter decomposition and a series expansion of the partition function for Hund's exchange coupling in a quantum Monte Carlo (QMC) algorithm for multiorbital systems that preserves spin and orbital rotational…
We present a study of mono(benzene)TM and bis(benzene)TM systems, where TM={Mo,W}. We calculate the binding energies by quantum Monte Carlo (QMC) approaches and compare the results with other methods and available experiments. The orbitals…
We investigate the behavior of the moments of the partially transposed reduced density matrix \rho^{T_2}_A in critical quantum spin chains. Given subsystem A as union of two blocks, this is the (matrix) transposed of \rho_A with respect to…
The two-dimensional antiferromagnetic S=1/2 Heisenberg model with random site dilution is studied using quantum Monte Carlo simulations. Ground state properties of the largest connected cluster on L*L lattices, with L up to 64, are…
We take advantage of recent improvements in the grand canonical Hybrid Monte Carlo (HMC) algorithm, to perform a precision study of the single-particle gap in the hexagonal Hubbard model, with on-site electron-electron interactions. After…
In this paper, we have focused on a comparison of the different magnetic properties of the three nano-Heusler Ru$_2$Mn$_X$ (X = Nb, Ta or V) compounds using the Blume-Capel Ising model. The Heusler structures are composed by different mixed…