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Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of materials with desired properties, and require solving the…

In a variety of situations, isolated polymer molecules are found in a vacuum and here we examine their properties. Angular momentum conservation is shown to significantly alter the average size of a chain and its conservation is only broken…

Covalent molecules are characterized by directed bonds, which provide stability-of-form to the molecules relative atomic positions. In contrast, bulk metals are characterized by delocalized bonds, where a large number of resonance…

We investigate theoretically the long-range electrostatic interactions between a ground-state homonuclear alkali-metal dimer and an excited alkali-metal atom taking into account its fine-structure. The interaction involves the combination…

Follower activity results in a large variety of conformational and dynamical states in active chains and filaments. These states are formed due to the coupling between chain geometry and the local activity. We study the origin and emergence…

When a one-atom maser is operated in the standard way -- excited, resonant two-level atoms traverse the resonator at random times -- the emerging atoms are entangled with the cavity field. As a consequence, the results of measurements on…

The electronic properties of interfaces between two different solids can differ strikingly from those of the constituent materials. For instance, metallic conductivity, and even superconductivity, have been recently discovered at interfaces…

We theoretically show how two impurity defects in a crystalline structure can be entangled through coupling with the crystal. We demonstrate this with a harmonic chain of trapped ions in which two ions of a different species are embedded.…

The density of ions trapped in a harmonic potential in one dimension is not uniform. Consequently the eigenmodes are not phonons. We calculate the long wavelength modes in the continuum limit, and evaluate the density of states in the short…

Optical lattices are considered loaded by atoms or molecules that can exhibit strong interactions between different lattice sites. The strength of these interactions can be sufficient for generating collective phonon excitations above the…

First-principles studies of two-dimensional transition metal dichalcogenides have contributed considerably to the understanding of their dielectric, optical, elastic, and vibrational properties. The majority of works to date focus on a…

The behavior of an atomic system is influenced by introducing a metallic surface. This work explores how the decay landscape can be altered by the presence of sharp corners. We examine two scenarios: the modified spontaneous decay of a…

Recent advances in single atom manipulation have made it possible to create "wires" in the form of atomic scale linear structures on a semiconductor surface. If such structures are to be used in future electronic devices, it will be…

We discuss in detail properties of trapped atomic condensates with anisotropic dipole interactions. A practical procedure for constructing anisotropic low energy pseudo potentials is proposed and justified by the agreement with results of…

Realistic oxide materials are often semiconductors, in particular at elevated temperatures, and their surfaces contain undercoordiated atoms at structural defects such as steps and corners. Using hybrid density-functional theory and ab…

Molecule oxygen resembles 3d and 4f metals in exhibiting long-range spin ordering and electron strong correlated behaviors in compounds. The ferromagnetic spin ordering and half-metallicity, however, are quite elusive and have not been well…

Oxide heterostructures are a new class of materials by design, that open the possibility for engineering challenging electronic properties, in particular correlation effects beyond an effective single-particle description. This short review…

We measure the conductance of amine-terminated molecules by breaking Au point contacts in a molecular solution at room temperature. We find that the variability of the observed conductance for the diamine molecule-Au junctions is much less…

We consider fermionic chains where the two halves are either metals with different bandwidths or a metal and an insulator. Both are coupled together by a special bond. We study the ground-state entanglement entropy between the two pieces,…

Trapping of atoms and molecules in electrostatic, magnetic and optical traps has enabled studying atomic and molecular interactions on a timescale of many seconds, allowing observations of ultra-cold collisions and reactions. Here we report…