Related papers: Modelling long-range interactions in multiscale si…
A phase diagram is a graph in parameter space showing the phase boundaries of a many-particle system. Commonly, the control parameters are chosen to be those of the (generalized) canonical ensemble, such as temperature and magnetic field.…
We show that dipolar interactions between ultracold polar alkali dimers in optical lattices can be used to realize a highly tunable generalization of the t-J model, which we refer to as the t-J-V-W model. The model features long-range…
As a nuclear spin model of scalable quantum register, the one-dimensional chain of the magnetic atoms with nuclear spins 1/2 substituting the basic atoms in the plate of nuclear spin free easy-axis 3D antiferromagnet is considered. It is…
We present a numerical approach to simulate the Ferromagnetic Resonance (FMR) of micron and nanosized magnetic elements by a micromagnetic finite difference method. In addition to a static magnetic field a linearly polarized oscillating…
We investigate numerically the time dependence of the multiple quantum coherences and entanglement in linear chains up to nine nuclear spins of 1/2 coupled by the dipole-dipole interactions. Two models are considered: (1) a spin chain with…
We analyze the time evolution of quantum entanglement in a model consisting of two two-level atoms interacting with a two-mode electromagnetic field for a variety of initial states. We study two different coupling schemes motivated by the…
We present phase diagrams, free-energy landscapes, and order-parameter distributions for a model spin-crossover material with a two-step transition between the high-spin and low-spin states (a square-lattice Ising model with…
Aluminum alloys are increasingly utilized as lightweight materials in the automobile industry due to their superior capability in withstanding high mechanical loads. A significant challenge impeding the large-scale use of these alloys in…
We present the advantages of a multiscale modelling strategy for the understanding of systems with charged interfaces. On the one hand, one can simulate a complex system at different levels, depending on the relevant length and time scales…
We investigate the effect of two-body loss due to chemical reactions on quantum magnetism of fermionic polar molecules in an optical lattice. We show that an interplay between dissipation and strong long-range interactions leads to…
Consider the macroscale modelling of microscale spatiotemporal dynamics. Here we develop a new approach to ensure coarse scale discrete models preserve important self-adjoint properties of the fine scale dynamics. The first part explores…
From condensed matter to quantum chromodynamics, multidimensional spins are a fundamental paradigm, with a pivotal role in combinatorial optimization and machine learning. Machines formed by coupled parametric oscillators can simulate spin…
A ubiquitous approach to obtain transferable machine learning-based models of potential energy surfaces for atomistic systems is to decompose the total energy into a sum of local atom-centred contributions. However, in many systems…
We discuss analytical approximation schemes for the dynamics of diluted spin models. The original dynamics of the complete set of degrees of freedom is replaced by a hierarchy of equations including an increasing number of global…
With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many…
We study the role of long range dipolar interactions on antiferromagnetic spin chains, from the classical $S\to \infty$ limit to the deep quantum case $S=1/2$, including a transverse magnetic field. To this end, we combine different…
This work is concerned with the numerical simulation of elastoplastic, electromagnetic and thermal response of aerospace materials due to their interaction with a plasma arc under lightning strike conditions. Current approaches treat the…
The first step in the construction of a regression model or a data-driven analysis, aiming to predict or elucidate the relationship between the atomic scale structure of matter and its properties, involves transforming the Cartesian…
Molecular dynamics simulations are used to study different definitions of contact at the atomic scale. The roles of temperature, adhesive interactions and atomic structure are studied for simple geometries. An elastic, crystalline substrate…
The properties of excited nuclear matter and the quest for a phase transition which is expected to exist in this system are the subject of intensive investigations. High energy nuclear collisions between finite nuclei which lead to matter…