Related papers: General method for atomistic spin-lattice dynamics…
Magnetism and spin physics are true quantum mechanical effects and their description usually requires multi reference methods and is often hidden in the standard description of molecules in quantum chemistry. In this work we present a…
Optically active solid-state spin defects are promising candidates for quantum applications, however a unified theoretical framework to predict their spin dynamics at high temperatures is not yet available. Here, using Kubo linear--response…
In many condensed-matter systems, it is very useful to introduce a quasi-particle approach, which is based on some sort of linearization around a suitable background state. In order to be a systematic and controlled approximation, this…
Shaking a lattice system, by modulating the location of its sites periodically in time, is a powerful method to create effective magnetic fields in engineered quantum systems, such as cold gases trapped in optical lattices. However, such…
Molecular and lattice vibrations are able to couple to the spin of electrons and lead to their relaxation and decoherence. Ab initio simulations have played a fundamental role in shaping our understanding of this process but further…
A new methodology is developed to integrate numerically the equations of motion for classical many-body systems in molecular dynamics simulations. Its distinguishable feature is the possibility to preserve, independently on the size of the…
Atomistic modelling of magnetic materials provides unprecedented detail about the underlying physical processes that govern their macroscopic properties, and allows the simulation of complex effects such as surface anisotropy, ultrafast…
We study dynamics and relaxation of elementary excitations (magnons) in the spin nematic (quadrupole ordered) phase of S=1 magnets. We develop a general phenomenological theory of spin dynamics and relaxation for spin-1 systems. Results of…
The one-dimensional Ising model with its connections to several physical concepts plays a vital role in comprehension of several principles, phenomena and numerical methods. The Hamiltonian of a coupled one-dimensional dissipative spin…
Discrete particle simulation, a combined approach of computational fluid dynamics and discrete methods such as DEM (Discrete Element Method), DSMC (Direct Simulation Monte Carlo), SPH (Smoothed Particle Hydrodynamics), PIC…
We start from the polynomic interatomic potentials introduced by Wojde{\l} et al. [J. Phys. Condens. Matt. 25, 305401(2013)] and take advantage of one of their key features -- namely, the linear dependence of the energy on the potential's…
Utilizing an atomistic computational model which handles both translational and spin degrees of freedom, combined molecular and spin dynamics simulations have been performed to investigate the effect of vacancy defects on spin wave…
Atomic-scale modeling of magnetic materials requires precise treatment of coupled spin-lattice degrees of freedom (DOFs). Traditional spin-lattice dynamics (SLD), employing Newtonian equation for lattice evolution and the…
The dynamics of disordered nuclear spin ensembles are the subject of nuclear magnetic resonance studies. Due to the through-space long-range dipolar interaction generically many spins are involved in the time evolution, so that exact brute…
The \textit{Spirit} framework is designed for atomic scale spin simulations of magnetic systems of arbitrary geometry and magnetic structure, providing a graphical user interface with powerful visualizations and an easy to use scripting…
We extend the covariance-matrix description of atom--light quantum interfaces, originally developed for real and effective spin-1/2 atoms, to include "spin alignment" degrees of freedom. This allows accurate modeling of optically-probed…
In this paper we study the linearized dynamics of spinor condensates using the spin-node formalism developed in arXiv:0812.3403. We provide a general method to linearize the equations of motion based on the symmetry of the mean-field ground…
An experiment demonstrating the quantum simulation of a spin-lattice Hamiltonian is proposed. Dipolar interactions between nuclear spins in a solid state lattice can be modulated by rapid radio-frequency pulses. In this way, the effective…
Efficient numerical methods are required for the design of optimised devices. In magnonics, the primary computational tool is micromagnetic simulations, which solve the Landau-Lifshitz equation discretised in time and space. However, their…
We study the internal dynamics of bosonic atoms in an optical lattice. Within the regime in which the atomic crystal is a Mott insulator with one atom per well, the atoms behave as localized spins which interact according to some spin…