Related papers: The AiiDA-Spirit plugin for automated spin-dynamic…
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…
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…
The ever-growing availability of computing power and the sustained development of advanced computational methods have contributed much to recent scientific progress. These developments present new challenges driven by the sheer amount of…
We simulate the dynamical spin structure factor (DSSF) $\mathcal{S}({q},\omega)$ of the spin-1/2 Heisenberg antiferromagnetic chain using classical simulations. By employing Landau-Lifshitz Dynamics, we emulate quantum correlations through…
We propose new semi-implicit numerical methods for the integration of the stochastic Landau-Lifshitz equation with built-in angular momentum conservation. The performance of the proposed integrators is tested on the 1D Heisenberg chain. For…
This paper introduces IEA-plugin, a novel AI agent-based reasoning module developed as a new front-end for the Intelligent Engineering Assistant (IEA). The primary objective of IEA-plugin is to utilize the advanced reasoning and coding…
We present a first-principles method based on density functional theory and many-body perturbation theory for computing spin excitations in magnetic systems with noncollinear spin textures. Traditionally, the study of magnetic excitations…
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…
Dynamic simulations of spin-transfer and spin-orbit torques are increasingly important for a wide range of spintronic devices including magnetic random access memory, spin-torque nano-oscillators and electrical switching of…
Energy dissipation is studied for a hard magnetic tip that scans a soft magnetic substrate. The dynamics of the atomic moments are simulated by solving the Landau-Lifshitz-Gilbert (LLG) equation numerically. The local energy currents are…
We consider the numerical solution of the inertial version of Landau-Lifshitz-Gilbert equation (iLLG), which describes high-frequency nutation on top of magnetization precession due to angular momentum relaxation. The iLLG equation defines…
The real-time dynamics of a classical spin in an external magnetic field and locally exchange coupled to an extended one-dimensional system of non-interacting conduction electrons is studied numerically. Retardation effects in the coupled…
Atomistic simulations of thermodynamic properties of magnetic materials rely on an accurate modelling of magnetic interactions and an efficient sampling of the high-dimensional spin space. Recent years have seen significant progress with a…
Spin precession in magnetic materials is commonly modelled with the classical phenomenological Landau-Lifshitz-Gilbert (LLG) equation. Based on a quantized spin+environment Hamiltonian, we here derive a general spin operator equation of…
Relativistic spin effects drive subtle molecular phenomena ranging from intersystem crossing in photodynamic therapy to spin-mediated catalysis and high-resolution spectroscopy. These effects are described by the Pauli-Breit Hamiltonian,…
Efficient classical simulation has matured to a critical component of the quantum computing stack, driving hardware validation, algorithm design, and the study of structured quantum dynamics. Lie-algebraic simulation ($\mathfrak{g}$-sim) is…
Simulations of magnetization dynamics in a multiscale environment enable rapid evaluation of the Landau-Lifshitz-Gilbert equation in a mesoscopic sample with nanoscopic accuracy in areas where such accuracy is required. We have developed a…
(Anti)-/ferromagnetic Heisenberg spin models arise from discretization of Landau-Lifshitz models in micromagnetic modelling. In many applications it is essential to study the behavior of the system at a fixed temperature. A formulation for…
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…
Over the last two decades, the field of computational science has seen a dramatic shift towards incorporating high-throughput computation and big-data analysis as fundamental pillars of the scientific discovery process. This has…