Related papers: Modelling long-range interactions in multiscale si…
We present a mixed-dimensional atomic gas system to unambiguously detect and systematically probe mediated interactions. In our scheme, fermionic atoms are confined in two parallel planes and interact via exchange of elementary excitations…
Multiscale models allow for the treatment of complex phenomena involving different scales, such as remodeling and growth of tissues, muscular activation, and cardiac electrophysiology. Numerous numerical approaches have been developed to…
In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…
We describe a recent multiscale approach based on the concurrent coupling of constrained molecular dynamics for long biomolecules with a mesoscopic lattice Boltzmann treatment of solvent hydrodynamics. The multiscale approach is based on a…
Nanopatterned magnetic thin films offer a platform for exploration of tailored magnetic properties such as emergent long-range order. A prominent example is artificial spin ice (ASI), where an arrangement of nanoscale magnetic elements,…
In quantum/classical (QM/CM) partitioning methods for multi-scale modeling, one is often forced to introduce uncontrolled phenomenological effects of the environment (CM) in the quantum (QM) domain as ab initio quantum calculations are…
Ferromagnetism is typically discussed in terms of the exchange interaction and magnetic anisotropies. Yet real samples are inevitably affected by the magnetostatic dipole-dipole interaction. Because of this interaction, a theorem (R.B.…
Theories which have been used to describe the quantized electromagnetic field interacting with a nonlinear dielectric medium are either phenomenological or derived by quantizing the macroscopic Maxwell equations. Here we take a different…
We introduce a theoretical scheme for the analog quantum simulation of long-range XYZ models using current trapped-ion technology. In order to achieve fully-tunable Heisenberg-type interactions, our proposal requires a state-dependent…
Coupled atomistic-continuum methods can describe large domains and model dynamic material behavior for a much lower computational cost than traditional atomistic techniques. However, these multiscale frameworks suffer from wave reflections…
Sintering, as a thermal process at elevated temperature below the melting point, is widely used to bond contacting particles into engineering products such as ceramics, metals, polymers, and cemented carbides. Modelling and simulation as…
This paper presents a homogenization framework for elastomeric metamaterials exhibiting long-range correlated fluctuation fields. Based on full-scale numerical simulations on a class of such materials, an ansatz is proposed that allows to…
Molecular dynamics simulations are an invaluable tool in numerous scientific fields. However, the ubiquitous classical force fields cannot describe reactive systems, and quantum molecular dynamics are too computationally demanding to treat…
Shadow molecular dynamics provide an efficient and stable atomistic simulation framework for flexible charge models with long-range electrostatic interactions. While previous implementations have been limited to atomic monopole charge…
Static and dynamic properties of magnetically soft amorphous ferromagnets have been studied analytically and numerically within random-field and random-anisotropy models. External field and coherent anisotropy that are weak compared to…
Spin models are the prime example of simplified manybody Hamiltonians used to model complex, real-world strongly correlated materials. However, despite their simplified character, their dynamics often cannot be simulated exactly on…
The spin-fermion model was previously successful to describe the complex phase diagrams of colossal magnetoresistive manganites and iron-based superconductors. In recent years, two-dimensional magnets have rapidly raised up as a new…
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 and interatomic separations. We study two specific atomic…
We propose a spin model with a new kind of ferromagnetic interaction, which may be called {\it ferromagnetic coupling with threshold}. In this model the contribute of a given spin to the total energy has only two possible values and depends…
The combination of theory and simulation is necessary in the investigation of properties of complex systems where each method alone cannot do the task properly. Theory needs simulation to test ideas and to check approximations. Simulation…