Related papers: Lattice ground states for Embedded-Atom Models in …
We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…
The possibility of using ultracold atoms to observe strong localization of matter waves is now the subject of a great interest, as undesirable decoherence and interactions can be made negligible in these systems. It was proposed that a…
We discuss a general framework for the realization of a family of abelian lattice gauge theories, i.e., link models or gauge magnets, in optical lattices. We analyze the properties of these models that make them suitable to quantum…
Bound states of two interacting particles moving on a lattice can exhibit remarkable features that are not captured by the underlying single-particle picture. Inspired by this phenomenon, we introduce a novel framework by which genuine…
We present a new interatomic potential for water captured in a charge-transfer embedded atom method (EAM) framework. The potential accounts for explicit, dynamical charge transfer in atoms as a function of the local chemical environment. As…
Various fields such as mechanical engineering, materials science, etc., have seen a widespread use of linear elastic fracture mechanics (LEFM) at the continuum scale. LEFM is also routinely applied to the atomic scale. However, its…
Exact analyses are given for two three-dimensional lattice systems: A system of close-packed dimers placed in layers of honeycomb lattices and a layered triangular-lattice interacting domain wall model, both with nontrivial interlayer…
The interaction between a two-level atom and the finite two-dimensional oscillator in the Cartesian coordinate system is addressed. The construction of the coupling between the degenerate energy states of the finite oscillator and the two…
Interatomic potentials approximate the potential energy of atoms as a function of their coordinates. Their main application is the effective simulation of many-atom systems. Here, we review empirical interatomic potentials designed to…
Based on a formalism that describes atom-light interactions in terms of the classical electromagnetic Green's function, we study the optical response of atoms and other quantum emitters coupled to one-dimensional photonic structures, such…
We propose the use of photonic crystal structures to design subwavelength optical lattices in two dimensions for ultracold atoms by using both Guided Modes and Casimir-Polder forces. We further show how to use Guided Modes for…
Atomically engineered artificial lattices are a useful tool for simulating complex quantum phenomena, but have so far been limited to the study of Hamiltonians where electron-electron interactions do not play a role -- but it's precisely…
In the first part of our theoretical study of correlated atomic wires on substrates, we introduced lattice models for a one-dimensional quantum wire on a three-dimensional substrate and their approximation by quasi-one-dimensional effective…
Topic of the thesis is a theoretical description of the ultracold atomic gases in one- and two-dimensional optical lattices in the presence of the disorder leading to the Anderson localization. The disorder is created by interaction of the…
The problem of finding the minimum-energy configuration of particles on a lattice, subject to a generic short-ranged repulsive interaction, is studied analytically. The study is relevant to charge ordered states of interacting fermions, as…
Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…
We present a continuum model for symmetry-breaking phase transformations in intercalation compounds, based on Ericksen's multi-well energy formulation. The model predicts the nucleation and growth of crystallographic microstructures in…
A modification of an embedded-atom method (EAM)-type potential is proposed for a quantitative description of equilibrium and non-equilibrium properties of metal systems within the molecular-dynamics framework. The modification generalizes…
Atomistic simulations hold significant value in clarifying crucial phenomena such as phase transitions and energy transport in materials science. Their success stems from the presence of potential energy functions capable of accurately…
We study the states of one and two atoms in a rotating ring lattice in a Hubbard type tight-binding model. The model is developed carefully from basic principles in order to properly identify the physical observables. The one-particle…