Related papers: Accelerating spin-space sampling by auxiliary spin…
Accurate predictions of thermo-mechanically coupled process in metals can lead to a reduction of cost and an increase of productivity in manufacturing processes such as forming. For modeling these coupled processes with the finite element…
A method is proposed for obtaining a systematic expansion of thermodynamic functions of spin systems with large spin S in powers of 1/S. It uses the cumulant technique and a coherent-state representation of the partition function Z. The…
Magnetization processes of the spin-1/2 antiferromagnetic $XXZ$ model in two and three spatial dimensions are studied using quantum Monte Carlo method based on stochastic series expansions. Recently developed operator-loop algorithm enables…
Spin squeezing is a form of entanglement that reshapes the quantum projection noise to improve measurement precision. Here, we provide numerical and analytic evidence for the following conjecture: any Hamiltonian exhibiting finite…
Using a combination of quantum Monte Carlo simulations in adapted cluster bases, the finite temperature Lanczos method, and an effective Hamiltonian approach, we explore the thermodynamic properties of the spin-1/2 Heisenberg…
Given quantum hardware that enables sampling from a family of natively implemented Hamiltonians, how well can one use that hardware to sample from a Hamiltonian outside that family? A common approach is to minor embed the desired…
We present a universal quantum Monte Carlo algorithm for simulating arbitrary high-spin (spin greater than 1/2) Hamiltonians, based on the recently developed permutation matrix representation (PMR) framework. Our approach extends a…
We add the magnetic degrees of freedom to the widely used Gaussian Approximation Potential of machine learning (ML) and present a model that describes the potential energy surface of a crystal based on the atomic coordinates as well as…
We investigate numerically the magnetic properties of the 3D Isotropic and Anisotropic Hubbard model at half-filling. The behavior of the transition temperature as a function of the anisotropic hopping parameter is qualitatively described.…
Metropolis Monte Carlo simulation is a powerful tool for studying the equilibrium properties of matter. In complex condensed-phase systems, however, it is difficult to design Monte Carlo moves with high acceptance probabilities that also…
We develop an instantonic calculus to derive an analytical expression for the thermally-assisted tunneling decay rate of a metastable state in a fully connected quantum spin model. The tunneling decay problem can be mapped onto the Kramers…
In the absence of impurities and boundary effects, first order phase transitions are initiated by the nucleation of critical bubbles. In thermally driven transitions many systems can remain metastable for an extended time, possibly tens of…
Using dynamic cluster quantum Monte Carlo simulations, we study the superconducting behavior of a 1/8 doped two-dimensional Hubbard model with imposed uni-directional stripe-like charge density wave modulation. We find a significant…
We numerically investigate Heisenberg XXZ spin-1/2 chain in a spatially random static magnetic field. We find that tDMRG simulations of time evolution can be performed efficiently, namely the dimension of matrices needed to efficiently…
Monte Carlo simulations are methods for simulating statistical systems. The aim is to generate a representative ensemble of configurations to access thermodynamical quantities without the need to solve the system analytically or to perform…
We present Hotspice, a Monte Carlo simulation software designed to capture the dynamics and equilibrium states of Artificial Spin Ice (ASI) systems with both in-plane (IP) and out-of-plane (OOP) geometries. An Ising-like model is used where…
A kinetic Ising model is analyzed where spin variables correspond to lattice cells with mobile or immobile particles. Introducing additional restrictions for the flip processes according to the n-spin facilitated kinetic Ising model and…
A quantum Monte Carlo algorithm is constructed starting from the standard perturbation expansion in the interaction representation. The resulting configuration space is strongly related to that of the Stochastic Series Expansion (SSE)…
Atomistic simulations provide valuable insights into the physical processes governing material behavior. However, their applicability is fundamentally constrained by the limited time scales accessible to brute-force simulations. This…
Spin-dynamics techniques have been used to perform large-scale simulations of the dynamic behavior of the classical Heisenberg antiferromagnet in simple cubic lattices with linear sizes $L\leq 60$. This system is widely recognized as an…