Related papers: Accelerating spin-space sampling by auxiliary spin…
Atomistic spin model simulations are immensely useful in determining temperature dependent magnetic prop- erties, but are known to give the incorrect dependence of the magnetization on temperature compared to exper- iment owing to their…
A spin-glass transition has been investigated for a long time but we have not yet reached a conclusion due to difficulties in the simulations. They are slow dynamics, strong finite-size effects, and sample-to-sample dependences. We…
Recently, Velazquez and Curilef have proposed a methodology to extend Monte Carlo algorithms based on canonical ensemble, which is aimed to overcome slow sampling problems associated with temperature-driven discontinuous phase transitions.…
Hamiltonian Monte Carlo (HMC) is a popular method in sampling. While there are quite a few works of studying this method on various aspects, an interesting question is how to choose its integration time to achieve acceleration. In this…
We explore two complementary modifications of the hybridization-expansion continuous-time Monte Carlo method, aiming at large multi-orbital quantum impurity problems. One idea is to compute the imaginary-time propagation using a matrix…
We have used the Kubo formula to calculate the temperature dependence of the electrical conductance of the double exchange Hamiltonian. We average the conductance over an statistical ensemble of clusters, which are obtained by performing…
The static and dynamic properties of spin-polarons in La-doped $CaMnO_3$ are explored theoretically, by means of an effective low energy Hamiltonian. All parameters from the Hamiltoniain are evaluated from first principles theory, without…
The classical Heisenberg type spin Hamiltonian is widely used for simulations of finite temperature properties of magnetic metals often using parameters derived from first principles calculations. In itinerant electron systems, however, the…
Self-learning hybrid Monte Carlo (SLHMC) is a first-principles simulation that allows for exact ensemble generation on potential energy surfaces based on density functional theory. The statistical sampling can be accelerated with the…
We calculate the magnetic excitation spectrum in the stripe phase of high-T_c materials. The stripes are modeled as coupled spin-1/2 ladders and the spin dynamics is extracted using Quantum Monte Carlo (QMC) simulations, which can capture…
In recent decades the field of quantum computation has seen remarkable development. While much progress has been made toward the realization of a fully digital, scalable, and fault tolerant quantum computer, there are still many essential…
Shape memory alloys are remarkable 'smart' materials used in a broad spectrum of applications, ranging from aerospace to robotics, thanks to their unique thermomechanical coupling capabilities. Given the complex properties of shape memory…
Using a combination of high-temperature series expansion, exact diagonalization and quantum Monte Carlo, we perform a complementary analysis of the thermodynamic properties of quasi-one-dimensional mixed-spin systems with alternating…
Magnetism arising from coupled spin and spatial degrees of freedom underlies the properties of a broad array of physical systems. We study here the interplay between correlations in spin and space for the quantum compass model in a finite…
Hamiltonian Monte Carlo (HMC) samples efficiently from high-dimensional posterior distributions with proposed parameter draws obtained by iterating on a discretized version of the Hamiltonian dynamics. The iterations make HMC…
The computational study of conformational transitions in RNA and proteins with atomistic molecular dynamics often requires suitable enhanced sampling techniques. We here introduce a novel method where concurrent metadynamics are integrated…
The numerical simulation of quantum many-body dynamics is typically limited by the linear growth of entanglement with time. Recently numerical studies have shown, however, that for 1D Bethe-integrable models the simulation of local…
A Metropolis Monte Carlo simulation is used in this paper to investigate the temperature dependency of the hysteresis loops of a spin-1 bilayer with square monolayers. In this system, the atoms interact ferromagnetically in-plane, with…
We present a systematic numerical iteration approach to study the evolution properties of the spin-boson systems, which works well in whole coupling regime. This approach involves the evaluation of a set of coefficients for the formal…
A method is proposed to study the finite-temperature behaviour of small magnetic clusters based on solving the stochastic Landau-Lifshitz-Gilbert equations, where the effective magnetic field is calculated directly during the solution of…